Yuk Sham PhD
Yuk Sham PhD
Verified email at umn.edu
Cited by
Cited by
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
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
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
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
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
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
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
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 and Prevention Biomarkers 16 (3), 598-605, 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
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
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
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
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
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
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
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
Homology modeling and molecular dynamics simulations of the mu opioid receptor in a membrane–aqueous system
Y Zhang, YY Sham, R Rajamani, J Gao, PS Portoghese
ChemBioChem 6 (5), 853-859, 2005
The surface constraint all atom model provides size independent results in calculations of hydration free energies
YY Sham, A Warshel
The Journal of chemical physics 109 (18), 7940-7944, 1998
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
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
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