Impact

E. Brookes, J. E. Curtis, A. Householder, M. Rocco

SAXS-A-FOLD: a website for fast ensemble modeling optimizing the fit of AlphaFold or user-supplied protein structures with flexible regions to SAXS data

Journal of Applied Crystallography, Vol. 58(3), pp. 1034-1049 (2025)

DOI

Valentina A. Spiteri, James Doutch, Robert P. Rambo, Jayesh S. Bhatt, Jayesh Gor, Paul A. Dalby, Stephen J. Perkins

Using atomistic solution scattering modelling to elucidate the role of the Fc glycans in human IgG4

PLOS ONE, Vol. 19(4), pp. e0300964 (2024)

DOI PubMed

Sebastian Himbert, Dorian Gaboo, Emre Brookes, John F. Nagle, Maikel C. Rheinstädter

MEDUSA: A cloud-based tool for the analysis of X-ray diffuse scattering to obtain the bending modulus from oriented membrane stacks

PLOS Computational Biology, Vol. 20(1), pp. e1011749 (2024)

DOI

Xin Gao, Hina Iqbal, Ding-Quan Yu, Jayesh Gor, Alun R. Coker, Stephen J. Perkins

The SCR-17 and SCR-18 glycans in human complement factor H enhance its regulatory function

Journal of Biological Chemistry, Vol. 300(9) (2024)

DOI PubMed

Gar Kay Hui, Xin Gao, Jayesh Gor, Jinghua Lu, Peter D. Sun, Stephen J. Perkins

The solution structure of the unbound IgG Fc receptor CD64 resembles its crystal structure: Implications for function

PloS One, Vol. 18(9), pp. e0288351 (2023)

DOI PubMed

Amy Y. Xu, Marco A. Blanco, Maria Monica Castellanos, Curtis W. Meuse, Kevin Mattison, Ioannis Karageorgos, Harold W. Hatch, Vincent K. Shen, Joseph E. Curtis

Role of Domain-Domain Interactions on the Self-Association and Physical Stability of Monoclonal Antibodies: Effect of pH and Salt

The Journal of Physical Chemistry. B, Vol. 127(39), pp. 8344-8357 (2023)

DOI PubMed

Amy Y. Xu, Marco A. Blanco, Maria Monica Castellanos, Curtis W. Meuse, Kevin Mattison, Ioannis Karageorgos, Harold W. Hatch, Vincent K. Shen, Joseph E. Curtis

Role of Domain-Domain Interactions on the Self-Association and Physical Stability of Monoclonal Antibodies: Effect of pH and Salt

The Journal of Physical Chemistry. B, Vol. 127(39), pp. 8344-8357 (2023)

DOI PubMed

Hina Iqbal, Ka Wai Fung, Jayesh Gor, Anthony C. Bishop, George I. Makhatadze, Barbara Brodsky, Stephen J. Perkins

A solution structure analysis reveals a bent collagen triple helix in the complement activation recognition molecule mannan-binding lectin

The Journal of Biological Chemistry, Vol. 299(2), pp. 102799 (2023)

DOI PubMed

Emre H. Brookes, Mattia Rocco

Beyond the US-SOMO-AF database: a new website for hydrodynamic, structural, and circular dichroism calculations on user-supplied structures

European biophysics journal: EBJ, Vol. 52(4-5), pp. 225-232 (2023)

DOI PubMed

Emre Brookes, Mattia Rocco, Patrice Vachette, Jill Trewhella

AlphaFold-predicted protein structures and small-angle X-ray scattering: insights from an extended examination of selected data in the Small-Angle Scattering Biological Data Bank

Journal of Applied Crystallography, Vol. 56(Pt 4), pp. 910-926 (2023)

DOI PubMed

Andreas Haahr Larsen, Emre Brookes, Martin Cramer Pedersen, Jacob Judas Kain Kirkensgaard

Shape2SAS: a web application to simulate small-angle scattering data and pair distance distributions from user-defined shapes

Journal of Applied Crystallography, Vol. 56(Pt 4), pp. 1287-1294 (2023)

DOI PubMed

Xin Gao, Joseph W. Thrush, Jayesh Gor, James H. Naismith, Raymond J. Owens, Stephen J. Perkins

The solution structure of the heavy chain–only C5-Fc nanobody reveals exposed variable regions that are optimal for COVID-19 antigen interactions

Journal of Biological Chemistry, Vol. 299(11) (2023)

DOI PubMed

Frederik G. Tidemand, Sara Blemmer, Nicolai T. Johansen, Lise Arleth, Martin Cramer Pedersen

Non-ionic detergent assists formation of supercharged nanodiscs and insertion of membrane proteins

Biochimica Et Biophysica Acta. Biomembranes, Vol. 1864(6), pp. 183884 (2022)

DOI PubMed

Emre Brookes, Mattia Rocco

A database of calculated solution parameters for the AlphaFold predicted protein structures

Scientific Reports, Vol. 12(1), pp. 7349 (2022)

DOI

A. Barclay, N. Tidemand Johansen, F. G. Tidemand, L. Arleth, M. C. Pedersen

Global fitting of multiple data frames from SEC–SAXS to investigate the structure of next-generation nanodiscs

Acta Crystallographica Section D: Structural Biology, Vol. 78(4), pp. 483-493 (2022)

DOI

Christophe J. Lalaurie, Andrew Splevins, Teresa S. Barata, Karen A. Bunting, Daniel R. Higazi, Mire Zloh, Valentina A. Spiteri, Stephen J. Perkins, Paul A. Dalby

Elucidation of critical pH-dependent structural changes in Botulinum Neurotoxin E

Journal of Structural Biology, Vol. 214(3), pp. 107876 (2022)

DOI

J. Trewhella, P. Vachette, J. Bierma, C. Blanchet, E. Brookes, S. Chakravarthy, L. Chatzimagas, T. E. Cleveland, N. Cowieson, B. Crossett, A. P. Duff, D. Franke, F. Gabel, R. E. Gillilan, M. Graewert, A. Grishaev, J. M. Guss, M. Hammel, J. Hopkins, Q. Huang, J. S. Hub, G. L. Hura, T. C. Irving, C. M. Jeffries, C. Jeong, N. Kirby, S. Krueger, A. Martel, T. Matsui, N. Li, J. Pérez, L. Porcar, T. Prangé, I. Rajkovic, M. Rocco, D. J. Rosenberg, T. M. Ryan, S. Seifert, H. Sekiguchi, D. Svergun, S. Teixeira, A. Thureau, T. M. Weiss, A. E. Whitten, K. Wood, X. Zuo

A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking

Acta Crystallographica Section D: Structural Biology, Vol. 78(11), pp. 1315-1336 (2022)

DOI

Nicolai Tidemand Johansen, Marta Bonaccorsi, Tone Bengtsen, Andreas Haahr Larsen, Frederik Grønbæk Tidemand, Martin Cramer Pedersen, Pie Huda, Jens Berndtsson, Tamim Darwish, Nageshewar Rao Yepuri, Anne Martel, Thomas Günther Pomorski, Andrea Bertarello, Mark Sansom, Mikaela Rapp, Ramon Crehuet, Tobias Schubeis, Kresten Lindorff-Larsen, Guido Pintacuda, Lise Arleth, Lewis E Kay, Volker Dötsch

Mg2+-dependent conformational equilibria in CorA and an integrated view on transport regulation

eLife, Vol. 11, pp. e71887 (2022)

DOI

Cheol Jeong, Ryan Franklin, Karen J. Edler, Kenno Vanommeslaeghe, Susan Krueger, Joseph E. Curtis

Styrene–Maleic Acid Copolymer Nanodiscs to Determine the Shape of Membrane Proteins

The Journal of Physical Chemistry B, Vol. 126(5), pp. 1034-1044 (2022)

DOI

T. Cleveland IV, E. Blick, S. Krueger, A. Leung, T. Darwish, P. Butler

Direct localization of detergents and bacteriorhodopsin in the lipidic cubic phase by small-angle neutron scattering

IUCrJ, Vol. 8(1), pp. 22-32 (2021)

DOI

Emilia C. Arturo, George W. Merkel, Michael R. Hansen, Sophia Lisowski, Deeanne Almeida, Kushol Gupta, Eileen K. Jaffe

Manipulation of a cation-π sandwich reveals conformational flexibility in phenylalanine hydroxylase

Biochimie, Vol. 183, pp. 63-77 (2021)

DOI

Jayesh Sonje, Seema Thakral, Susan Krueger, Raj Suryanarayanan

Reversible Self-Association in Lactate Dehydrogenase during Freeze–Thaw in Buffered Solutions Using Neutron Scattering

Molecular Pharmaceutics, Vol. 18(12), pp. 4459-4474 (2021)

DOI

Jakub Macošek, Bernd Simon, Johanna-Barbara Linse, Pravin Kumar Ankush Jagtap, Sophie L Winter, Jaelle Foot, Karine Lapouge, Kathryn Perez, Mandy Rettel, Miloš T Ivanović, Pawel Masiewicz, Brice Murciano, Mikhail M Savitski, Inga Loedige, Jochen S Hub, Frank Gabel, Janosch Hennig

Structure and dynamics of the quaternary hunchback mRNA translation repression complex

Nucleic Acids Research, Vol. 49(15), pp. 8866-8885 (2021)

DOI

Valentina A. Spiteri, Margaret Goodall, James Doutch, Robert P. Rambo, Jayesh Gor, Stephen J. Perkins

Solution structures of human myeloma IgG3 antibody reveal extended Fab and Fc regions relative to the other IgG subclasses

Journal of Biological Chemistry, Vol. 297(3) (2021)

DOI PubMed

Sergii Donets, Olga Guskova, Jens-Uwe Sommer

Searching for Aquamelt Behavior among Silklike Biomimetics during Fibrillation under Flow

The Journal of Physical Chemistry B, Vol. 125(12), pp. 3238-3250 (2021)

DOI

Orla M. Dunne, Xin Gao, Ruodan Nan, Jayesh Gor, Penelope J. Adamson, David L. Gordon, Martine Moulin, Michael Haertlein, V. Trevor Forsyth, Stephen J. Perkins

A Dimerization Site at SCR-17/18 in Factor H Clarifies a New Mechanism for Complement Regulatory Control

Frontiers in Immunology, Vol. 11 (2021)

Valentina A. Spiteri, James Doutch, Robert P. Rambo, Jayesh Gor, Paul A. Dalby, Stephen J. Perkins

Solution structure of deglycosylated human IgG1 shows the role of CH2 glycans in its conformation

Biophysical Journal, Vol. 120(9), pp. 1814-1834 (2021)

DOI

A. H. Larsen, M. C. Pedersen

Experimental noise in small-angle scattering can be assessed using the Bayesian indirect Fourier transformation

Journal of Applied Crystallography, Vol. 54(5), pp. 1281-1289 (2021)

DOI

Andreas Haahr Larsen, Nicolai Tidemand Johansen, Michael Gajhede, Lise Arleth, Søren Roi Midtgaard

Lipid-bound ApoE3 self-assemble into elliptical disc-shaped particles

Biochimica et Biophysica Acta (BBA) - Biomembranes, Vol. 1863(1), pp. 183495 (2021)

DOI

Alexandra S. Solovyova, Daniel T. Peters, Gema Dura, Helen Waller, Jeremy H. Lakey, David A. Fulton

Probing the oligomeric re-assembling of bacterial fimbriae in vitro: a small-angle X-ray scattering and analytical ultracentrifugation study

European Biophysics Journal, Vol. 50(3), pp. 597-611 (2021)

DOI

Frank Heinrich, Que N. Van, Frantz Jean-Francois, Andrew G. Stephen, Mathias Lösche

Membrane-bound KRAS approximates an entropic ensemble of configurations

Biophysical Journal, Vol. 120(18), pp. 4055-4066 (2021)

DOI

Luke A. Perera, Steffen Preissler, Nathan R. Zaccai, Sylvain Prévost, Juliette M. Devos, Michael Haertlein, David Ron

Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD

Nature Communications, Vol. 12(1), pp. 5004 (2021)

DOI

Prasad Calyam, Nancy Wilkins‐Diehr, Mark Miller, Emre H. Brookes, Ritu Arora, Amit Chourasia, Douglas M. Jennewein, Viswanath Nandigam, M. Drew LaMar, Sean B. Cleveland, Greg Newman, Shaowen Wang, Ilya Zaslavsky, Michael A. Cianfrocco, Kevin Ellett, David Tarboton, Keith G. Jeffery, Zhiming Zhao, Juan González‐Aranda, Mark J. Perri, Greg Tucker, Leonardo Candela, Tamas Kiss, Sandra Gesing

Measuring success for a future vision: Defining impact in science gateways/virtual research environments

Concurrency and Computation: Practice and Experience, pp. cpe.6099 (2020)

DOI

Nilufar Kadkhodayi-Kholghi, Jayesh S. Bhatt, Jayesh Gor, Lindsay C. McDermott, Daniel P. Gale, Stephen J. Perkins

The solution structure of the complement deregulator FHR5 reveals a compact dimer and provides new insights into CFHR5 nephropathy

Journal of Biological Chemistry, Vol. 295(48), pp. 16342-16358 (2020)

DOI

Dagan C. Marx, Mathis J. Leblanc, Ashlee M. Plummer, Susan Krueger, Karen G. Fleming

Domain interactions determine the conformational ensemble of the periplasmic chaperone SurA

Protein Science, Vol. 29(10), pp. 2043-2053 (2020)

DOI

Dagan C. Marx, Ashlee M. Plummer, Anneliese M. Faustino, Taylor Devlin, Michaela A. Roskopf, Mathis J. Leblanc, Henry J. Lessen, Barbara T. Amann, Patrick J. Fleming, Susan Krueger, Stephen D. Fried, Karen G. Fleming

SurA is a cryptically grooved chaperone that expands unfolded outer membrane proteins

Proceedings of the National Academy of Sciences, Vol. 117(45), pp. 28026-28035 (2020)

DOI

Andrew J. Boughton, Susan Krueger, David Fushman

Branching via K11 and K48 Bestows Ubiquitin Chains with a Unique Interdomain Interface and Enhanced Affinity for Proteasomal Subunit Rpn1

Structure, Vol. 28(1), pp. 29-43.e6 (2020)

DOI PubMed

Rahul Saxena, Christopher B. Stanley, Pankaj Kumar, Matthew J. Cuneo, Digvijay Patil, Jyoti Jha, Kevin L. Weiss, Dhruba K. Chattoraj, Elliott Crooke

A nucleotide-dependent oligomerization of the Escherichia coli replication initiator DnaA requires residue His136 for remodeling of the chromosomal origin

Nucleic Acids Research, Vol. 48(1), pp. 200-211 (2020)

DOI

Trey A. Ronnebaum, Kushol Gupta, David W. Christianson

Higher-order oligomerization of a chimeric αβγ bifunctional diterpene synthase with prenyltransferase and class II cyclase activities is concentration-dependent

Journal of Structural Biology, Vol. 210(1), pp. 107463 (2020)

DOI

Samuel Bowerman, Joseph E. Curtis, Joseph Clayton, Emre H. Brookes, Jeff Wereszczynski

BEES: Bayesian Ensemble Estimation from SAS

Biophysical Journal, Vol. 117(3), pp. 399-407 (2019)

DOI PubMed

Andrew R. McCluskey, Adrian Sanchez-Fernandez, Karen J. Edler, Stephen C. Parker, Andrew J. Jackson, Richard A. Campbell, Thomas Arnold

Bayesian determination of the effect of a deep eutectic solvent on the structure of lipid monolayers

Physical Chemistry Chemical Physics, Vol. 21(11), pp. 6133-6141 (2019)

DOI

Nuria Codina, David Hilton, Cheng Zhang, Nesrine Chakroun, Shahina S. Ahmad, Stephen J. Perkins, Paul A. Dalby

An Expanded Conformation of an Antibody Fab Region by X-Ray Scattering, Molecular Dynamics, and smFRET Identifies an Aggregation Mechanism

Journal of Molecular Biology, Vol. 431(7), pp. 1409-1425 (2019)

DOI

A. R. McCluskey, J. Grant, A. R. Symington, T. Snow, J. Doutch, B. J. Morgan, S. C. Parker, K. J. Edler

An introduction to classical molecular dynamics simulation for experimental scattering users

Journal of Applied Crystallography, Vol. 52(3), pp. 665-668 (2019)

DOI

Alexey Savelyev, Emre Brookes

GenApp: Extensible tool for rapid generation of web and native GUI applications

Future Generation Computer Systems, Vol. 94, pp. 929-936 (2019)

DOI

Gar Kay Hui, Antoni D. Gardener, Halima Begum, Charles Eldrid, Konstantinos Thalassinos, Jayesh Gor, Stephen J. Perkins

The solution structure of the human IgG2 subclass is distinct from those for human IgG1 and IgG4 providing an explanation for their discrete functions

Journal of Biological Chemistry, Vol. 294(28), pp. 10789-10806 (2019)

DOI PubMed

A. R. McCluskey, J. Grant, A. J. Smith, J. L. Rawle, D. J. Barlow, M. J. Lawrence, S. C. Parker, K. J. Edler

Assessing molecular simulation for the analysis of lipid monolayer reflectometry

Journal of Physics Communications, Vol. 3(7), pp. 075001 (2019)

DOI

David W. Wright, Emma L.K. Elliston, Gar Kay Hui, Stephen J. Perkins

Atomistic Modeling of Scattering Curves for Human IgG1/4 Reveals New Structure-Function Insights

Biophysical Journal, Vol. 117(11), pp. 2101-2119 (2019)

DOI

Emre Brookes, Joe Stubbs

GenApp, Containers and Abaco: Technical Paper

PEARC '19, pp. 1–8 (2019)

DOI

Martin Bush, Bashir M. Alhanshali, Shuo Qian, Christopher B. Stanley, William T. Heller, Tsutomu Matsui, Thomas M. Weiss, Iain D. Nicholl, Thomas Walz, David J. E. Callaway, Zimei Bu

An ensemble of flexible conformations underlies mechanotransduction by the cadherin–catenin adhesion complex

Proceedings of the National Academy of Sciences, Vol. 116(43), pp. 21545-21555 (2019)

DOI PubMed

Letitia O. Puster, Christopher B. Stanley, Vladimir N. Uversky, Joseph E. Curtis, Susan Krueger, Yuzhuo Chu, Cynthia B. Peterson

Characterization of an Extensive Interface on Vitronectin for Binding to Plasminogen Activator Inhibitor-1: Adoption of Structure in an Intrinsically Disordered Region

Biochemistry, Vol. 58(51), pp. 5117-5134 (2019)

DOI

Amy Yuanyuan Xu, Maria Monica Castellanos, Kevin Mattison, Susan Krueger, Joseph E. Curtis

Studying Excipient Modulated Physical Stability and Viscosity of Monoclonal Antibody Formulations Using Small-Angle Scattering

Molecular Pharmaceutics, Vol. 16(10), pp. 4319-4338 (2019)

DOI

Maria Monica Castellanos, Steven C. Howell, D. Travis Gallagher, Joseph E. Curtis

Characterization of the NISTmAb Reference Material using small-angle scattering and molecular simulation

Analytical and Bioanalytical Chemistry, Vol. 410(8), pp. 2141-2159 (2018)

DOI

Maria Monica Castellanos, Kevin Mattison, Susan Krueger, Joseph E. Curtis

Characterization of the NISTmAb Reference Material using small-angle scattering and molecular simulation

Analytical and Bioanalytical Chemistry, Vol. 410(8), pp. 2161-2171 (2018)

DOI

Emre Brookes, Mattia Rocco

Recent advances in the UltraScan SOlution MOdeller (US-SOMO) hydrodynamic and small-angle scattering data analysis and simulation suite

European Biophysics Journal, Vol. 47(7), pp. 855-864 (2018)

DOI

Andrew McCluskey, Benjamin Morgan, Karen Edler, Stephen Parker

pylj: A teaching tool for classical atomistic simulation

Journal of Open Source Education, Vol. 2(16), pp. 19 (2018)

DOI

Amy J. Osborne, Ruodan Nan, Ami Miller, Jayesh S. Bhatt, Jayesh Gor, Stephen J. Perkins

Two distinct conformations of factor H regulate discrete complement-binding functions in the fluid phase and at cell surfaces

Journal of Biological Chemistry, Vol. 293(44), pp. 17166-17187 (2018)

DOI PubMed

Ruodan Nan, Christopher M. Furze, David W. Wright, Jayesh Gor, Russell Wallis, Stephen J. Perkins

Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and-2 Provides Insight on Lectin Pathway Activation

Structure, Vol. 25(2), pp. 364-375 (2017)

DOI

Kenneth T. Walker, Ruodan Nan, David W. Wright, Jayesh Gor, Anthony C. Bishop, George I. Makhatadze, Barbara Brodsky, Stephen J. Perkins

Non-linearity of the collagen triple helix in solution and implications for collagen function

Biochemical Journal, Vol. 474, pp. 2203-2217 (2017)

DOI

Maria Monica Castellanos, Arnold McAuley, Joseph E. Curtis

Investigating Structure and Dynamics of Proteins in Amorphous Phases Using Neutron Scattering

Computational and Structural Biotechnology Journal, Vol. 15, pp. 117-130 (2017)

DOI

Purva P. Bhojane, Michael R. Duff, Khushboo Bafna, Pratul Agarwal, Christopher Stanley, Elizabeth E. Howell

Small Angle Neutron Scattering Studies of R67 Dihydrofolate Reductase, a Tetrameric Protein with Intrinsically Disordered N-Termini

Biochemistry, Vol. 56(44), pp. 5886-5899 (2017)

DOI

Maria Monica Castellanos, James A. Snyder, Melody Lee, Srinivas Chakravarthy, Nicholas J. Clark, Arnold McAuley, Joseph E. Curtis

Characterization of Monoclonal Antibody-Protein Antigen Complexes Using Small-Angle Scattering and Molecular Modeling

Antibodies, Vol. 6(4), pp. 25 (2017)

DOI

Weihong Zhang, Steven C. Howell, David W. Wright, Andrew Heindel, Xiangyun Qiu, Jianhan Chen, Joseph E. Curtis

Combined Monte Carlo/torsion-angle molecular dynamics for ensemble modeling of proteins, nucleic acids and carbohydrates

Journal of Molecular Graphics & Modelling, Vol. 73, pp. 179-190 (2017)

DOI

Nathan R. Zaccai, Clifford W. Sandlin, James T. Hoopes, Joseph E. Curtis, Patrick J. Fleming, Karen G. Fleming, Susan Krueger, Z. Kelman

Deuterium Labeling Together with Contrast Variation Small-Angle Neutron Scattering Suggests How Skp Captures and Releases Unfolded Outer Membrane Proteins

, Vol. 566, pp. 159-210 (2016)

Travis Eisemann, Michael McCauley, Marie-France Langelier, Kushol Gupta, Swati Roy, Gregory D. Van Duyne, John M. Pascal

Tankyrase-1 Ankyrin Repeats Form an Adaptable Binding Platform for Targets of ADP-Ribose Modification

Structure, Vol. 24(10), pp. 1679-1692 (2016)

DOI

Emre H. Brookes, Abhishek Kapoor, Priyanshu Patra, Suresh Marru, Raminder Singh, Marlon Pierce

GSoC 2015 student contributions to GenApp and Airavata

Concurrency and Computation: Practice and Experience, Vol. 28(7), pp. 1960-1970 (2016)

DOI

Kuo Hao Lee, Jianhan Chen

Multiscale enhanced sampling of intrinsically disordered protein conformations

Journal of Computational Chemistry, Vol. 37(6), pp. 550-557 (2016)

DOI

Carlos A. Castaneda, Emma K. Dixon, Olivier Walker, Apurva Chaturvedi, Mark A. Nakasone, Joseph E. Curtis, Megan R. Reed, Susan Krueger, T. Ashton Cropp, David Fushman

Linkage via K27 Bestows Ubiquitin Chains with Unique Properties among Polyubiquitins

Structure, Vol. 24(3), pp. 423-436 (2016)

DOI

Carlos A. Castaneda, Apurva Chaturvedi, Christina M. Camara, Joseph E. Curtis, Susan Krueger, David Fushman

Linkage-specific conformational ensembles of non-canonical polyubiquitin chains

Physical Chemistry Chemical Physics, Vol. 18(8), pp. 5771-5788 (2016)

DOI

Henna Zahid, Layeque Miah, Andy M. Lau, Lea Brochard, Debolina Hati, Tam T. T. Bui, Alex F. Drake, Jayesh Gor, Stephen J. Perkins, Lindsay C. McDermott

Zinc-induced oligomerization of zinc α2 glycoprotein reveals multiple fatty acid-binding sites

Biochemical Journal, Vol. 473(1), pp. 43-54 (2016)

DOI

Matthew Green, Louise Hatter, Emre Brookes, Panos Soultanas, David J. Scott

Defining the Intrinsically Disordered C-Terminal Domain of SSB Reveals DNA-Mediated Compaction

Journal of Molecular Biology, Vol. 428(2), pp. 357-364 (2016)

DOI

Zhiguang Jia, Jianhan Chen

Necessity of high-resolution for coarse-grained modeling of flexible proteins

Journal of Computational Chemistry, Vol. 37(18), pp. 1725-1733 (2016)

DOI

Steven C. Howell, Xiangyun Qiu, Joseph E. Curtis

Monte Carlo simulation algorithm for B-DNA

Journal of Computational Chemistry, Vol. 37(29), pp. 2553-2563 (2016)

DOI

S. J. Perkins, D. W. Wright, H. Zhang, E. H. Brookes, J. Chen, T. C. Irving, S. Krueger, D. J. Barlow, K. J. Edler, D. J. Scott, N. J. Terrill, S. M. King, P. D. Butler, J. E. Curtis

Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)

Journal of Applied Crystallography, Vol. 49(6), pp. 1861-1875 (2016)

DOI

Maria Monica Castellanos, Nicholas J. Clark, Max C. Watson, Susan Krueger, Arnold McAuley, Joseph E. Curtis

Role of Molecular Flexibility and Colloidal Descriptions of Proteins in Crowded Environments from Small-Angle Scattering

The Journal of Physical Chemistry B, Vol. 120(49), pp. 12511-12518 (2016)

DOI

Emre Brookes, Patrice Vachette, Mattia Rocco, Javier Perez

US-SOMO HPLC-SAXS module: dealing with capillary fouling and extraction of pure component patterns from poorly resolved SEC-SAXS data

Journal of Applied Crystallography, Vol. 49, pp. 1827-1841 (2016)

DOI

Ka Wai Fung, David W. Wright, Jayesh Gor, Marcus J. Swann, Stephen J. Perkins

Domain structure of human complement C4b extends with increasing NaCl concentration: implications for its regulatory mechanism

Biochemical Journal, Vol. 473, pp. 4473-4491 (2016)

DOI

Zhiguang Jia, Susan K. Whitaker, John M. Tomich, Jianhan Chen

Organization and Structure of Branched Amphipathic Oligopeptide Bilayers

Langmuir, Vol. 32(38), pp. 9883-9891 (2016)

DOI

Elizabeth Rodriguez, Ruodan Nan, Keying Li, Jayesh Gor, Stephen J. Perkins

A Revised Mechanism for the Activation of Complement C3 to C3b A MOLECULAR EXPLANATION OF A DISEASE-ASSOCIATED POLYMORPHISM

Journal of Biological Chemistry, Vol. 290(4), pp. 2334-2350 (2015)

DOI

David W. Wright, Stephen J. Perkins

SCT: a suite of programs for comparing atomistic models with small-angle scattering data

Journal of Applied Crystallography, Vol. 48, pp. 953-961 (2015)

DOI

Huaying Zhao, Rodolfo Ghirlando, Carlos Alfonso, Fumio Arisaka, Ilan Attali, David L. Bain, Marina M. Bakhtina, Donald F. Becker, Gregory J. Bedwell, Ahmet Bekdemir, Tabot M. D. Besong, Catherine Birck, Chad A. Brautigam, William Brennerman, Olwyn Byron, Agnieszka Bzowska, Jonathan B. Chaires, Catherine T. Chaton, Helmut Coelfen, Keith D. Connaghan, Kimberly A. Crowley, Ute Curth, Tina Daviter, William L. Dean, Ana I. Diez, Christine Ebel, Debra M. Eckert, Leslie E. Eisele, Edward Eisenstein, Patrick England, Carlos Escalante, Jeffrey A. Fagan, Robert Fairman, Ron M. Finn, Wolfgang Fischle, Jose Garcia de la Torre, Jayesh Gor, Henning Gustafsson, Damien Hall, Stephen E. Harding, Jose G. Hernandez Cifre, Andrew B. Herr, Elizabeth E. Howell, Richard S. Isaac, Shu-Chuan Jao, Davis Jose, Soon-Jong Kim, Bashkim Kokona, Jack A. Kornblatt, Dalibor Kosek, Elena Krayukhina, Daniel Krzizike, Eric A. Kusznir, Hyewon Kwon, Adam Larson, Thomas M. Laue, Aline Le Roy, Andrew P. Leech, Hauke Lilie, Karolin Luger, Juan R. Luque-Ortega, Jia Ma, Carrie A. May, Ernest L. Maynard, Anna Modrak-Wojcik, Yee-Foong Mok, Norbert Muecke, Luitgard Nagel-Steger, Geeta J. Narlikar, Masanori Noda, Amanda Nourse, Tomas Obsil, Chad K. Park, Jin-Ku Park, Peter D. Pawelek, Erby E. Perdue, Stephen J. Perkins, Matthew A. Perugini, Craig L. Peterson, Martin G. Peverelli, Grzegorz Piszczek, Gali Prag, Peter E. Prevelige, Bertrand D. E. Raynal, Lenka Rezabkova, Klaus Richter, Alison E. Ringel, Rose Rosenberg, Arthur J. Rowe, Arne C. Rufer, David J. Scott, Javier G. Seravalli, Alexandra S. Solovyova, Renjie Song, David Staunton, Caitlin Stoddard, Katherine Stott, Holger M. Strauss, Werner W. Streicher, John P. Sumida, Sarah G. Swygert, Roman H. Szczepanowski, Ingrid Tessmer, Ronald T. Toth, Ashutosh Tripathy, Susumu Uchiyama, Stephan F. W. Uebel, Satoru Unzai, Anna Vitlin Gruber, Peter H. von Hippel, Christine Wandrey, Szu-Huan Wang, Steven E. Weitzel, Beata Wielgus-Kutrowska, Cynthia Wolberger, Martin Wolff, Edward Wright, Yu-Sung Wu, Jacinta M. Wubben, Peter Schuck

A Multilaboratory Comparison of Calibration Accuracy and the Performance of External References in Analytical Ultracentrifugation

Plos One, Vol. 10(5), pp. e0126420 (2015)

DOI

Lucy E. Rayner, Gar Kay Hui, Jayesh Gor, Richard K. Heenan, Paul A. Dalby, Stephen J. Perkins

The Solution Structures of Two Human IgG1 Antibodies Show Conformational Stability and Accommodate Their C1q and Fc gamma R Ligands

Journal of Biological Chemistry, Vol. 290(13), pp. 8420-8438 (2015)

DOI

Emre H. Brookes, Nadeem Anjum, Joseph E. Curtis, Suresh Marru, Raminder Singh, Marlon Pierce

The GenApp framework integrated with Airavata for managed compute resource submissions

Concurrency and Computation: Practice and Experience, Vol. 27(16), pp. 4292-4303 (2015)

DOI

Barbara J. Tarasevich, John S. Philo, Nasib Karl Maluf, Susan Krueger, Garry W. Buchko, Genyao Lin, Wendy J. Shaw

The leucine-rich amelogenin protein (LRAP) is primarily monomeric and unstructured in physiological solution

Journal of Structural Biology, Vol. 190(1), pp. 81-91 (2015)

DOI

David W. Wright, Ruodan Nan, Gar-Kay Hui, Joseph E. Curtis, Emre H. Brookes, Stephen J. Perkins

CCP-SAS - Novel Approaches for the Atomistic Modelling of Small Angle Scattering Data in Biology

Biophysical Journal, Vol. 108(2), pp. 191A-191A (2015)

DOI

Gar Kay Hui, David W. Wright, Owen L. Vennard, Lucy E. Rayner, Melisa Pang, See Cheng Yeo, Jayesh Gor, Karen Molyneux, Jonathan Barratt, Stephen J. Perkins

The solution structures of native and patient monomeric human IgA1 reveal asymmetric extended structures: implications for function and IgAN disease

Biochemical Journal, Vol. 471, pp. 167-185 (2015)

DOI

Zhe Zhang, Jan-Michael Y. Carrillo, Suk-kyun Ahn, Bin Wu, Kunlun Hong, Gregory S. Smith, Changwoo Do

Atomistic Structure of Bottlebrush Polymers: Simulations and Neutron Scattering Studies

Macromolecules, Vol. 47(16), pp. 5808-5814 (2014)

DOI

Stephen J. Perkins, Ka Wai Fung, Sanaullah Khan

Molecular interactions between complement factor H and its heparin and heparan sulfate ligands

Frontiers in Immunology, Vol. 5, pp. 126 (2014)

DOI

Eric J. Yearley, Paul D. Godfrin, Tatiana Perevozchikova, Hailiang Zhang, Peter Falus, Lionel Porcar, Michihiro Nagao, Joseph E. Curtis, Pradad Gawande, Rosalynn Taing, Isidro E. Zarraga, Norman J. Wagner, Yun Liu

Observation of Small Cluster Formation in Concentrated Monoclonal Antibody Solutions and Its Implications to Solution Viscosity

Biophysical Journal, Vol. 106(8), pp. 1763-1770 (2014)

DOI

Max C. Watson, Joseph E. Curtis

Probing the Average Local Structure of Biomolecules Using Small-Angle Scattering and Scaling Laws

Biophysical Journal, Vol. 106(11), pp. 2474-2482 (2014)

DOI

Nicholas J. Clark, Madushi Raththagala, Nathan T. Wright, Elizabeth A. Buenger, Joel F. Schildbach, Susan Krueger, Joseph E. Curtis

Structures of TraI in solution

Journal of Molecular Modeling, Vol. 20(6), pp. 2308 (2014)

DOI

Joseph E. Curtis, Hailiang Zhang, Hirsh Nanda

SLDMOL: A tool for the structural characterization of thermally disordered membrane proteins

Computer Physics Communications, Vol. 185(11), pp. 3010-3015 (2014)

DOI

Susan Krueger, Jae-Ho Shin, Joseph E. Curtis, Kenneth A. Rubinson, Zvi Kelman

The solution structure of full-length dodecameric MCM by SANS and molecular modeling

Proteins: Structure, Function, and Bioinformatics, Vol. 82(10), pp. 2364-2374 (2014)

DOI

Yi Peng, Joseph E. Curtis, Xianyang Fang, Sarah A. Woodson

Structural model of an mRNA in complex with the bacterial chaperone Hfq

Proceedings of the National Academy of Sciences of the United States of America, Vol. 111(48), pp. 17134-17139 (2014)

DOI

Weihong Zhang, Jianhan Chen

Replica exchange with guided annealing for accelerated sampling of disordered protein conformations

Journal of Computational Chemistry, Vol. 35(23), pp. 1682-1689 (2014)

DOI

Lucy E. Rayner, Gar Kay Hui, Jayesh Gor, Richard K. Heenan, Paul A. Dalby, Stephen J. Perkins

The Fab Conformations in the Solution Structure of Human Immunoglobulin G4 (IgG4) Restrict Access to Its Fc Region IMPLICATIONS FOR FUNCTIONAL ACTIVITY

Journal of Biological Chemistry, Vol. 289(30), pp. 20740-20756 (2014)

DOI

M. C. Watson, J. E. Curtis

Rapid and accurate calculation of small-angle scattering profiles using the golden ratio

Journal of Applied Crystallography, Vol. 46(4), pp. 1171-1177 (2013)

DOI

Hailiang Zhang, Sheila Khodadadi, Steven L. Fiedler, Joseph E. Curtis

Role of Water and Ions on the Dynamical Transition of RNA

The Journal of Physical Chemistry Letters, Vol. 4(19), pp. 3325-3329 (2013)

DOI

K. L. Sarachan, J. E. Curtis, S. Krueger

Small-angle scattering contrast calculator for protein and nucleic acid complexes in solution

Journal of Applied Crystallography, Vol. 46(6), pp. 1889-1893 (2013)

DOI

Nicholas J. Clark, Hailiang Zhang, Susan Krueger, Hyo Jin Lee, Randal R. Ketchem, Bruce Kerwin, Sekhar R. Kanapuram, Michael J. Treuheit, Arnold McAuley, Joseph E. Curtis

Small-Angle Neutron Scattering Study of a Monoclonal Antibody Using Free-Energy Constraints

The Journal of Physical Chemistry B, Vol. 117(45), pp. 14029-14038 (2013)

DOI

Emre Brookes, Javier Perez, Barbara Cardinali, Aldo Profumo, Patrice Vachette, Mattia Rocco

Fibrinogen species as resolved by HPLC-SAXS data processing within the UltraScan Solution Modeler (US-SOMO) enhanced SAS module

Journal of Applied Crystallography, Vol. 46, pp. 1823-1833 (2013)

DOI

Lucy E. Rayner, Nilufar Kadkhodayi-Kholghi, Richard K. Heenan, Jayesh Gor, Paul A. Dalby, Stephen J. Perkins

The Solution Structure of Rabbit IgG Accounts for Its Interactions with the Fc Receptor and Complement C1q and Its Conformational Stability

Journal of Molecular Biology, Vol. 425(3), pp. 506-523 (2013)

DOI

Sanaullah Khan, Ka Wai Fung, Elizabeth Rodriguez, Rima Patel, Jayesh Gor, Barbara Mulloy, Stephen J. Perkins

The Solution Structure of Heparan Sulfate Differs from That of Heparin IMPLICATIONS FOR FUNCTION

Journal of Biological Chemistry, Vol. 288(39), pp. 27737-27751 (2013)

DOI

Impact

CCP-SAS Covers

Publications arising from CCP-SAS software projects:

2025

2024

2023

2022

2021

2020

2019

2018

2017

2016

2015

2014

2013