| Consistent Calculations of pKa's of Ionizable Residues in Proteins: Semi-microscopic and Microscopic Approaches YY Sham, ZT Chu, A Warshel The Journal of Physical Chemistry B 101 (22), 4458-4472, 1997 | 436 | 1997 |
| Blue Gene: A vision for protein science using a petaflop supercomputer F Allen, G Almasi, W Andreoni, D Beece, BJ Berne, A Bright, J Brunheroto, ... IBM systems journal 40 (2), 310-327, 2001 | 351 | 2001 |
| Examining methods for calculations of binding free energies: LRA, LIE, PDLD‐LRA, and PDLD/S‐LRA calculations of ligands binding to an HIV protease YY Sham, ZT Chu, H Tao, A Warshel Proteins: Structure, Function, and Bioinformatics 39 (4), 393-407, 2000 | 271 | 2000 |
| The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins YY Sham, I Muegge, A Warshel Biophysical Journal 74 (4), 1744-1753, 1998 | 246 | 1998 |
| Structured disorder and conformational selection CJ Tsai, B Ma, YY Sham, S Kumar, R Nussinov Proteins: Structure, Function, and Bioinformatics 44 (4), 418-427, 2001 | 243 | 2001 |
| How important are entropic contributions to enzyme catalysis? J Villa, M Štrajbl, TM Glennon, YY Sham, ZT Chu, A Warshel Proceedings of the National Academy of Sciences 97 (22), 11899-11904, 2000 | 227 | 2000 |
| Calculations of activation entropies of chemical reactions in solution M Strajbl, YY Sham, J Villa, ZT Chu, A Warshel The Journal of Physical Chemistry B 104 (18), 4578-4584, 2000 | 188 | 2000 |
| Direct inhibition of insulin-like growth factor-I receptor kinase activity by (−)− epigallocatechin-3-gallate regulates cell transformation M Li, Z He, S Ermakova, D Zheng, F Tang, YY Cho, F Zhu, WY Ma, ... Cancer Epidemiology Biomarkers & Prevention 16 (3), 598-605, 2007 | 159 | 2007 |
| A universal method for the preparation of covalent protein-DNA conjugates for use in creating protein nanostructures BP Duckworth, Y Chen, JW Wollack, Y Sham, JD Mueller, TA Taton, ... Angewandte Chemie-International Edition 46 (46), 8819-8822, 2007 | 144 | 2007 |
| Rapid identification of Keap1–Nrf2 small-molecule inhibitors through structure-based virtual screening and hit-based substructure search C Zhuang, S Narayanapillai, W Zhang, YY Sham, C Xing Journal of medicinal chemistry 57 (3), 1121-1126, 2014 | 141 | 2014 |
| Platelet factor 4 and interleukin-8 CXC chemokine heterodimer formation modulates function at the quaternary structural level IV Nesmelova, Y Sham, AZ Dudek, LI Van Eijk, G Wu, A Slungaard, ... Journal of Biological Chemistry 280 (6), 4948-4958, 2005 | 114 | 2005 |
| Simulating proton translocations in proteins: Probing proton transfer pathways in the Rhodobacter sphaeroides reaction center YY Sham, I Muegge, A Warshel Proteins: Structure, Function, and Bioinformatics 36 (4), 484-500, 1999 | 112 | 1999 |
| Blue Matter, an application framework for molecular simulation on Blue Gene BG Fitch, RS Germain, M Mendell, J Pitera, M Pitman, A Rayshubskiy, ... Journal of Parallel and Distributed Computing 63 (7-8), 759-773, 2003 | 92 | 2003 |
| CXC and CC chemokines form mixed heterodimers: association free energies from molecular dynamics simulations and experimental correlations IV Nesmelova, Y Sham, J Gao, KH Mayo Journal of biological chemistry 283 (35), 24155-24166, 2008 | 89 | 2008 |
| The design, synthesis and biological evaluations of C-6 or C-7 substituted 2-hydroxyisoquinoline-1, 3-diones as inhibitors of hepatitis C virus YL Chen, J Tang, MJ Kesler, YY Sham, R Vince, RJ Geraghty, Z Wang Bioorganic & medicinal chemistry 20 (1), 467-479, 2012 | 85 | 2012 |
| 5-Arylidenethioxothiazolidinones as inhibitors of tyrosyl–DNA phosphodiesterase I VR Sirivolu, SKV Vernekar, C Marchand, A Naumova, A Chergui, ... Journal of medicinal chemistry 55 (20), 8671-8684, 2012 | 83 | 2012 |
| Triazole-Linked Inhibitors of Inosine Monophosphate Dehydrogenase from Human and Mycobacterium tuberculosis L Chen, DJ Wilson, Y Xu, CC Aldrich, K Felczak, YY Sham, ... Journal of medicinal chemistry 53 (12), 4768-4778, 2010 | 78 | 2010 |
| A critical role for the loop region of the basic helix–loop–helix/leucine zipper protein Mlx in DNA binding and glucose-regulated transcription L Ma, YY Sham, KJ Walters, HC Towle Nucleic acids research 35 (1), 35-44, 2007 | 74 | 2007 |
| N-3 hydroxylation of pyrimidine-2, 4-diones yields dual inhibitors of HIV reverse transcriptase and integrase J Tang, K Maddali, CD Dreis, YY Sham, R Vince, Y Pommier, Z Wang ACS medicinal chemistry letters 2 (1), 63-67, 2011 | 72 | 2011 |
| 3-Hydroxypyrimidine-2, 4-diones as an inhibitor scaffold of HIV integrase J Tang, K Maddali, M Metifiot, YY Sham, R Vince, Y Pommier, Z Wang Journal of medicinal chemistry 54 (7), 2282-2292, 2011 | 68 | 2011 |
