| Gaussian accelerated molecular dynamics: Unconstrained enhanced sampling and free energy calculation Y Miao, VA Feher, JA McCammon Journal of chemical theory and computation 11 (8), 3584-3595, 2015 | 636 | 2015 |
| Two-component signal transduction in Bacillus subtilis: how one organism sees its world C Fabret, VA Feher, JA Hoch Journal of Bacteriology 181 (7), 1975-1983, 1999 | 497 | 1999 |
| Millisecond-timescale motions contribute to the function of the bacterial response regulator protein Spo0F VA Feher, J Cavanagh Nature 400 (6741), 289, 1999 | 256 | 1999 |
| Peptide models of protein folding initiation sites. 1. Secondary structure formation by peptides corresponding to the G-and H-helixes of myoglobin JP Waltho, VA Feher, G Merutka, HJ Dyson, PE Wright Biochemistry 32 (25), 6337-6347, 1993 | 232 | 1993 |
| Emerging computational methods for the rational discovery of allosteric drugs JR Wagner, CT Lee, JD Durrant, RD Malmstrom, VA Feher, RE Amaro Chemical reviews 116 (11), 6370-6390, 2016 | 224 | 2016 |
| D3R grand challenge 2015: evaluation of protein–ligand pose and affinity predictions S Gathiaka, S Liu, M Chiu, H Yang, JA Stuckey, YN Kang, J Delproposto, ... Journal of computer-aided molecular design 30 (9), 651-668, 2016 | 212 | 2016 |
| D3R grand challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies Z Gaieb, S Liu, S Gathiaka, M Chiu, H Yang, C Shao, VA Feher, ... Journal of computer-aided molecular design 32 (1), 1-20, 2018 | 198 | 2018 |
| Structure-based design, synthesis, and antimicrobial activity of indazole-derived SAH/MTA nucleosidase inhibitors X Li, S Chu, VA Feher, M Khalili, Z Nie, S Margosiak, V Nikulin, J Levin, ... Journal of medicinal chemistry 46 (26), 5663-5673, 2003 | 196 | 2003 |
| Stabilization of a type VI turn in a family of linear peptides in water solution J Yao, VA Feher, BF Espejo, MT Reymond, PE Wright, HJ Dyson Journal of molecular biology 243 (4), 736-753, 1994 | 192 | 1994 |
| Computational approaches to mapping allosteric pathways VA Feher, JD Durrant, AT Van Wart, RE Amaro Current opinion in structural biology 25, 98-103, 2014 | 144 | 2014 |
| Access of ligands to cavities within the core of a protein is rapid VA Feher, EP Baldwin, FW Dahlquist Nature Structural and Molecular Biology 3 (6), 516, 1996 | 129 | 1996 |
| Corrigendum: Novel DNA binding domain and genetic regulation model of Bacillus subtilis transition state regulator AbrB JL Vaughn, V Feher, S Naylor, MA Strauch, J Cavanagh Nature Structural and Molecular Biology 12 (4), 380, 2005 | 83* | 2005 |
| Novel DNA binding domain and genetic regulation model of Bacillus subtilis transition state regulator AbrB JL Vaughn, V Feher, S Naylor, MA Strauch, J Cavanagh Nature Structural and Molecular Biology 7 (12), 1139, 2000 | 83 | 2000 |
| High-Resolution NMR Structure and Backbone Dynamics of the Bacillus subtilis Response Regulator, Spo0F: Implications for Phosphorylation and Molecular Recognition … VA Feher, JW Zapf, JA Hoch, JM Whiteley, LP McIntosh, M Rance, ... Biochemistry 36 (33), 10015-10025, 1997 | 78 | 1997 |
| Outcome of the first wwPDB/CCDC/D3R ligand validation workshop PD Adams, K Aertgeerts, C Bauer, JA Bell, HM Berman, TN Bhat, ... Structure 24 (4), 502-508, 2016 | 70 | 2016 |
| Application of NMR SHAPES screening to an RNA target EC Johnson, VA Feher, JW Peng, JM Moore, JR Williamson Journal of the american chemical society 125 (51), 15724-15725, 2003 | 70 | 2003 |
| Mapping the anatomy of the immunodominant domain of the human immunodeficiency virus gp41 transmembrane protein: peptide conformation analysis using monoclonal antibodies and … MB Oldstone, A Tishon, H Lewicki, HJ Dyson, VA Feher, N Assa-Munt, ... Journal of virology 65 (4), 1727-1734, 1991 | 70 | 1991 |
| Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK) B Lam, Y Arikawa, J Cramlett, Q Dong, R de Jong, V Feher, CE Grimshaw, ... Bioorganic & medicinal chemistry letters 26 (24), 5947-5950, 2016 | 66 | 2016 |
| Characterization of interactions between a two-component response regulator, Spo0F, and its phosphatase, RapB YL Tzeng, VA Feher, J Cavanagh, M Perego, JA Hoch Biochemistry 37 (47), 16538-16545, 1998 | 65 | 1998 |
| Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors MB Wallace, ME Adams, T Kanouni, CD Mol, DR Dougan, VA Feher, ... Bioorganic & medicinal chemistry letters 20 (14), 4156-4158, 2010 | 62 | 2010 |
