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 | 1969 | 2011 |
Protein–protein docking with simultaneous optimization of rigid-body displacement and side-chain conformations JJ Gray, S Moughon, C Wang, O Schueler-Furman, B Kuhlman, CA Rohl, ... Journal of molecular biology 331 (1), 281-299, 2003 | 1328 | 2003 |
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 | 1303 | 2017 |
The interaction of proteins with solid surfaces JJ Gray Current opinion in structural biology 14 (1), 110-115, 2004 | 1039 | 2004 |
PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta S Chaudhury, S Lyskov, JJ Gray Bioinformatics 26 (5), 689-691, 2010 | 742 | 2010 |
The RosettaDock server for local protein–protein docking S Lyskov, JJ Gray Nucleic acids research 36 (suppl_2), W233-W238, 2008 | 650 | 2008 |
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 | 607 | 2020 |
Serverification of molecular modeling applications: the Rosetta Online Server that Includes Everyone (ROSIE) S Lyskov, FC Chou, SO Conchuir, BS Der, K Drew, D Kuroda, J Xu, ... PloS one 8 (5), e63906, 2013 | 406 | 2013 |
A comprehensive, high-resolution map of a gene’s fitness landscape E Firnberg, JW Labonte, JJ Gray, M Ostermeier Molecular biology and evolution 31 (6), 1581-1592, 2014 | 342 | 2014 |
Benchmarking and analysis of protein docking performance in Rosetta v3. 2 S Chaudhury, M Berrondo, BD Weitzner, P Muthu, H Bergman, JJ Gray PloS one 6 (8), e22477, 2011 | 333 | 2011 |
Modeling and docking of antibody structures with Rosetta BD Weitzner, JR Jeliazkov, S Lyskov, N Marze, D Kuroda, R Frick, ... Nature protocols 12 (2), 401-416, 2017 | 265 | 2017 |
High-resolution protein–protein docking JJ Gray Current opinion in structural biology 16 (2), 183-193, 2006 | 262 | 2006 |
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 | 243 | 2013 |
Phosphorylation‐dependent inhibition of mineralization by osteopontin ASARM peptides is regulated by PHEX cleavage WN Addison, DL Masica, JJ Gray, MD McKee Journal of Bone and Mineral Research 25 (4), 695-705, 2010 | 236 | 2010 |
Toward high‐resolution homology modeling of antibody Fv regions and application to antibody–antigen docking A Sivasubramanian, A Sircar, S Chaudhury, JJ Gray Proteins: Structure, Function, and Bioinformatics 74 (2), 497-514, 2009 | 230 | 2009 |
Large-scale sequence and structural comparisons of human naive and antigen-experienced antibody repertoires BJ DeKosky, OI Lungu, D Park, EL Johnson, W Charab, C Chrysostomou, ... Proceedings of the National Academy of Sciences 113 (19), E2636-E2645, 2016 | 212 | 2016 |
Targeting the CoREST complex with dual histone deacetylase and demethylase inhibitors JH Kalin, M Wu, AV Gomez, Y Song, J Das, D Hayward, N Adejola, M Wu, ... Nature communications 9 (1), 53, 2018 | 205 | 2018 |
RosettaAntibody: antibody variable region homology modeling server A Sircar, ET Kim, JJ Gray Nucleic acids research 37 (suppl_2), W474-W479, 2009 | 201 | 2009 |
Conformer selection and induced fit in flexible backbone protein–protein docking using computational and NMR ensembles S Chaudhury, JJ Gray Journal of molecular biology 381 (4), 1068-1087, 2008 | 196 | 2008 |
Deep learning in protein structural modeling and design W Gao, SP Mahajan, J Sulam, JJ Gray Patterns 1 (9), 2020 | 195 | 2020 |