MolProbity: all-atom contacts and structure validation for proteins and nucleic acids IW Davis, A Leaver-Fay, VB Chen, JN Block, GJ Kapral, X Wang, ... Nucleic acids research 35 (suppl_2), W375-W383, 2007 | 4314 | 2007 |
ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules A Leaver-Fay, M Tyka, SM Lewis, OF Lange, J Thompson, R Jacak, ... Methods in enzymology 487, 545-574, 2011 | 2032 | 2011 |
Predicting protein structures with a multiplayer online game S Cooper, F Khatib, A Treuille, J Barbero, J Lee, M Beenen, A Leaver-Fay, ... Nature 466 (7307), 756-760, 2010 | 1871 | 2010 |
The Rosetta all-atom energy function for macromolecular modeling and design RF Alford, A Leaver-Fay, JR Jeliazkov, MJ O’Meara, FP DiMaio, H Park, ... Journal of chemical theory and computation 13 (6), 3031-3048, 2017 | 1434 | 2017 |
Role of conformational sampling in computing mutation‐induced changes in protein structure and stability EH Kellogg, A Leaver‐Fay, D Baker Proteins: Structure, Function, and Bioinformatics 79 (3), 830-838, 2011 | 704 | 2011 |
Macromolecular modeling and design in Rosetta: recent methods and frameworks JK Leman, BD Weitzner, SM Lewis, J Adolf-Bryfogle, N Alam, RF Alford, ... Nature methods 17 (7), 665-680, 2020 | 694 | 2020 |
RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite SJ Fleishman, A Leaver-Fay, JE Corn, EM Strauch, SD Khare, N Koga, ... PloS one 6 (6), e20161, 2011 | 643 | 2011 |
De novo enzyme design using Rosetta3 F Richter, A Leaver-Fay, SD Khare, S Bjelic, D Baker PloS one 6 (5), e19230, 2011 | 430 | 2011 |
Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface SM Lewis, X Wu, A Pustilnik, A Sereno, F Huang, HL Rick, G Guntas, ... Nature biotechnology 32 (2), 191-198, 2014 | 304 | 2014 |
Combined covalent-electrostatic model of hydrogen bonding improves structure prediction with Rosetta MJ O’Meara, A Leaver-Fay, MD Tyka, A Stein, K Houlihan, F DiMaio, ... Journal of chemical theory and computation 11 (2), 609-622, 2015 | 262 | 2015 |
Modeling symmetric macromolecular structures in Rosetta3 F DiMaio, A Leaver-Fay, P Bradley, D Baker, I André PloS one 6 (6), e20450, 2011 | 257 | 2011 |
The challenge of designing scientific discovery games S Cooper, A Treuille, J Barbero, A Leaver-Fay, K Tuite, F Khatib, ... Proceedings of the Fifth international Conference on the Foundations of …, 2010 | 248 | 2010 |
Scientific benchmarks for guiding macromolecular energy function improvement A Leaver-Fay, MJ O'meara, M Tyka, R Jacak, Y Song, EH Kellogg, ... Methods in enzymology 523, 109-143, 2013 | 246 | 2013 |
Foldit Standalone: a video game-derived protein structure manipulation interface using Rosetta R Kleffner, J Flatten, A Leaver-Fay, D Baker, JB Siegel, F Khatib, ... Bioinformatics 33 (17), 2765-2767, 2017 | 123 | 2017 |
A generic program for multistate protein design A Leaver-Fay, R Jacak, PB Stranges, B Kuhlman PloS one 6 (7), e20937, 2011 | 117 | 2011 |
Computational design of a PAK1 binding protein RK Jha, A Leaver-Fay, S Yin, Y Wu, GL Butterfoss, T Szyperski, ... Journal of molecular biology 400 (2), 257-270, 2010 | 91 | 2010 |
Computationally designed bispecific antibodies using negative state repertoires A Leaver-Fay, KJ Froning, S Atwell, H Aldaz, A Pustilnik, F Lu, F Huang, ... Structure 24 (4), 641-651, 2016 | 77 | 2016 |
Adding diverse noncanonical backbones to rosetta: enabling peptidomimetic design K Drew, PD Renfrew, TW Craven, GL Butterfoss, FC Chou, S Lyskov, ... PLoS One 8 (7), e67051, 2013 | 77 | 2013 |
Computational protein design with explicit consideration of surface hydrophobic patches R Jacak, A Leaver‐Fay, B Kuhlman Proteins: Structure, Function, and Bioinformatics 80 (3), 825-838, 2012 | 75 | 2012 |
SwiftLib: rapid degenerate-codon-library optimization through dynamic programming TM Jacobs, H Yumerefendi, B Kuhlman, A Leaver-Fay Nucleic acids research 43 (5), e34-e34, 2015 | 67 | 2015 |