Protein structure prediction using Rosetta CA Rohl, CEM Strauss, KMS Misura, D Baker Methods in enzymology 383, 66-93, 2004 | 2119 | 2004 |
Computational methods in drug discovery G Sliwoski, S Kothiwale, J Meiler, EW Lowe Pharmacological reviews 66 (1), 334-395, 2014 | 2117 | 2014 |
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 | 1963 | 2011 |
Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution OF Lange, NA Lakomek, C Fares, GF Schroder, KFA Walter, S Becker, ... science 320 (5882), 1471-1475, 2008 | 1165 | 2008 |
Potently neutralizing and protective human antibodies against SARS-CoV-2 SJ Zost, P Gilchuk, JB Case, E Binshtein, RE Chen, JP Nkolola, A Schäfer, ... Nature 584 (7821), 443-449, 2020 | 1078 | 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 | 611 | 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 | 600 | 2020 |
Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator H Wu, C Wang, KJ Gregory, GW Han, HP Cho, Y Xia, CM Niswender, ... Science 344 (6179), 58-64, 2014 | 595 | 2014 |
ROSETTALIGAND: Protein–small molecule docking with full side‐chain flexibility J Meiler, D Baker Proteins: Structure, Function, and Bioinformatics 65 (3), 538-548, 2006 | 587 | 2006 |
Practically Useful: What the Rosetta Protein Modeling Suite Can Do for You KW Kaufmann, GH Lemmon, SL DeLuca, JH Sheehan, J Meiler Biochemistry 49 (14), 2987-2998, 2010 | 525 | 2010 |
New algorithms and an in silico benchmark for computational enzyme design A Zanghellini, L Jiang, AM Wollacott, G Cheng, J Meiler, EA Althoff, ... Protein Science 15 (12), 2785-2794, 2006 | 471 | 2006 |
Model-free approach to the dynamic interpretation of residual dipolar couplings in globular proteins J Meiler, JJ Prompers, W Peti, C Griesinger, R Brüschweiler Journal of the American Chemical Society 123 (25), 6098-6107, 2001 | 342 | 2001 |
Solvent accessible surface area approximations for rapid and accurate protein structure prediction E Durham, B Dorr, N Woetzel, R Staritzbichler, J Meiler Journal of molecular modeling 15, 1093-1108, 2009 | 301 | 2009 |
Generation and evaluation of dimension-reduced amino acid parameter representations by artificial neural networks J Meiler, M Müller, A Zeidler, F Schmäschke Molecular modeling annual 7 (9), 360-369, 2001 | 297 | 2001 |
Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders PJ Conn, CW Lindsley, J Meiler, CM Niswender Nature reviews Drug discovery 13 (9), 692-708, 2014 | 279 | 2014 |
Coupled prediction of protein secondary and tertiary structure J Meiler, D Baker Proceedings of the National Academy of Sciences 100 (21), 12105-12110, 2003 | 251 | 2003 |
Rosetta predictions in CASP5: successes, failures, and prospects for complete automation P Bradley, D Chivian, J Meiler, KMS Misura, CA Rohl, WR Schief, ... Proteins: Structure, Function, and Bioinformatics 53 (S6), 457-468, 2003 | 247 | 2003 |
Model-free analysis of protein backbone motion from residual dipolar couplings W Peti, J Meiler, R Brüschweiler, C Griesinger Journal of the American Chemical Society 124 (20), 5822-5833, 2002 | 241 | 2002 |
Structure of KCNE1 and implications for how it modulates the KCNQ1 potassium channel C Kang, C Tian, FD Sönnichsen, JA Smith, J Meiler, AL George Jr, ... Biochemistry 47 (31), 7999-8006, 2008 | 229 | 2008 |
Sampling alternative conformational states of transporters and receptors with AlphaFold2 D Del Alamo, D Sala, HS Mchaourab, J Meiler Elife 11, e75751, 2022 | 225 | 2022 |