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Y. Sham · SciRah

Researcher profile · Semantic Scholar

Y. Sham

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Y. Sham — researcher profile on SciRah

h-index: 33
Works: 91
Citations: 3,705

Most-cited papers

Consistent Calculations of pKa's of Ionizable Residues in Proteins: Semi-microscopic and Microscopic Approaches
Y. Sham, Zhen T. Chu, A. Warshel
1997319 citations
Semantic Scholar
Blue Gene: A vision for protein science using a petaflop supercomputer
F. Allen, G. Almási, W. Andreoni, D. Beece +48 more
2001IBM Systems Journal280 citations
Semantic Scholar
Structured disorder and conformational selection
Chung-Jung Tsai, B. Ma, Y. Sham, Sandeep Kumar +1 more
2001Proteins: Structure, Function, and Bioinformatics195 citations
Semantic Scholar
The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins.
Y. Sham, I. Muegge, A. Warshel
1998Biophysical Journal182 citations Open access
Semantic Scholar
Examining methods for calculations of binding free energies: LRA, LIE, PDLD‐LRA, and PDLD/S‐LRA calculations of ligands binding to an HIV protease
Y. Sham, Zhen T. Chu, H. Tao, A. Warshel
2000Proteins: Structure, Function, and Bioinformatics178 citations
Semantic Scholar
Rapid identification of Keap1-Nrf2 small-molecule inhibitors through structure-based virtual screening and hit-based substructure search.
Chunlin Zhuang, S. Narayanapillai, Wannian Zhang, Y. Sham +1 more
2014Journal of Medicinal Chemistry148 citations Open access
Semantic Scholar
How important are entropic contributions to enzyme catalysis?
J. Villà, M. Strajbl, T. M. Glennon, Y. Sham +2 more
2000Proceedings of the National Academy of Sciences of the United States of America137 citations Open access
Semantic Scholar
Calculations of Activation Entropies of Chemical Reactions in Solution
M. Štrajbl, Y. Sham, Jordi Villà, Zhen T. Chu +1 more
2000133 citations
Semantic Scholar
Direct Inhibition of Insulin-Like Growth Factor-I Receptor Kinase Activity by (−)−Epigallocatechin-3-Gallate Regulates Cell Transformation
Ming Li, Zhi-Wei He, S. Ermakova, Duo Zheng +9 more
2007Cancer Epidemiology, Biomarkers and Prevention122 citations Open access
Semantic Scholar
A universal method for the preparation of covalent protein-DNA conjugates for use in creating protein nanostructures.
B. Duckworth, Yan Chen, James W. Wollack, Y. Sham +3 more
2007Angewandte Chemie107 citations
Semantic Scholar
Platelet Factor 4 and Interleukin-8 CXC Chemokine Heterodimer Formation Modulates Function at the Quaternary Structural Level*
I. Nesmelova, Y. Sham, A. Dudek, L. V. van Eijk +5 more
2005Journal of Biological Chemistry97 citations Open access
Semantic Scholar
Simulating proton translocations in proteins: Probing proton transfer pathways in the Rhodobacter sphaeroides reaction center
Y. Sham, I. Muegge, A. Warshel
1999Proteins: Structure, Function, and Bioinformatics71 citations
Semantic Scholar
CXC and CC Chemokines Form Mixed Heterodimers
I. Nesmelova, Y. Sham, Jia-Li Gao, K. Mayo
2008Journal of Biological Chemistry70 citations Open access
Semantic Scholar
A critical role for the loop region of the basic helix–loop–helix/leucine zipper protein Mlx in DNA binding and glucose-regulated transcription
Lin Ma, Y. Sham, K. Walters, H. Towle
2006Nucleic Acids Research70 citations Open access
Semantic Scholar
The design, synthesis and biological evaluations of C-6 or C-7 substituted 2-hydroxyisoquinoline-1,3-diones as inhibitors of hepatitis C virus.
Yue-Lei Chen, Jing Tang, M. Kesler, Y. Sham +3 more
2012Bioorganic & Medicinal Chemistry67 citations
Semantic Scholar
Blue Matter, an application framework for molecular simulation on Blue Gene
B. Fitch, R. Germain, M. Mendell, J. Pitera +8 more
2003J. Parallel Distributed Comput.64 citations
Semantic Scholar
Triazole-linked Inhibitors of Inosine Monophosphate Dehydrogenase from Human and Mycobacterium tuberculosis
Li-Qiang Chen, Daniel J. Wilson, Yanli Xu, C. Aldrich +3 more
2010Journal of Medicinal Chemistry62 citations Open access
Semantic Scholar
Muscle membrane integrity in Duchenne muscular dystrophy: recent advances in copolymer-based muscle membrane stabilizers
Evelyne M. Houang, Y. Sham, F. Bates, J. Metzger
2018Skeletal Muscle60 citations Open access
Semantic Scholar
INHIBITION OF INFLAMMATORY AND NEUROPATHIC PAIN BY TARGETING A MU OPIOID RECEPTOR/CHEMOKINE RECEPTOR5 HETEROMER (MOR-CCR5)
E. Akgün, M. Javed, Mary M. Lunzer, Mike D. Powers +3 more
2015Journal of Medicinal Chemistry59 citations Open access
Semantic Scholar
5‑Arylidenethioxothiazolidinones as Inhibitors of Tyrosyl–DNA Phosphodiesterase I
V. Sirivolu, Sanjeev Kumar V. Vernekar, C. Marchand, Alena Naumova +7 more
2012Journal of Medicinal Chemistry58 citations Open access
Semantic Scholar
N-3 Hydroxylation of Pyrimidine-2,4-diones Yields Dual Inhibitors of HIV Reverse Transcriptase and Integrase
Jing Tang, Kasthuraiah Maddali, Christine D. Dreis, Y. Sham +3 more
2010ACS Medicinal Chemistry Letters58 citations Open access
Semantic Scholar
3-Hydroxypyrimidine-2,4-diones as an Inhibitor Scaffold of HIV Integrase
Jing Tang, Kasthuraiah Maddali, M. Métifiot, Y. Sham +3 more
2011Journal of Medicinal Chemistry47 citations Open access
Semantic Scholar
The surface constraint all atom model provides size independent results in calculations of hydration free energies
Y. Sham, A. Warshel
199846 citations
Semantic Scholar
Homology Modeling and Molecular Dynamics Simulations of the Mu Opioid Receptor in a Membrane–Aqueous System
Yan Zhang, Y. Sham, R. Rajamani, Jia-Li Gao +1 more
2005ChemBioChem45 citations
Semantic Scholar
Development of selective inhibitors for anti-apoptotic Bcl-2 proteins from BHI-1.
C. Xing, Liang-You Wang, Xiao-Hu Tang, Y. Sham
2007Bioorganic & Medicinal Chemistry44 citations Open access
Semantic Scholar
Design, asymmetric synthesis, and evaluation of pseudosymmetric sulfoximine inhibitors against HIV-1 protease.
Ding Lu, Y. Sham, R. Vince
2010Bioorganic & Medicinal Chemistry39 citations Open access
Semantic Scholar
An indole-chalcone inhibits multidrug-resistant cancer cell growth by targeting microtubules
Hui Cong, Xinghua Zhao, B. Castle, Emily J. Pomeroy +11 more
2018Molecular Pharmaceutics38 citations Open access
Semantic Scholar
Thermal unfolding molecular dynamics simulation of Escherichia coli dihydrofolate reductase: Thermal stability of protein domains and unfolding pathway
Y. Sham, B. Ma, Chung-Jung Tsai, R. Nussinov
2002Proteins: Structure, Function, and Bioinformatics38 citations
Semantic Scholar
Dual inhibitors of inosine monophosphate dehydrogenase and histone deacetylase based on a cinnamic hydroxamic acid core structure.
Li-Qiang Chen, R. Petrelli, Guang-Yao Gao, Daniel J. Wilson +4 more
2010Bioorganic & Medicinal Chemistry35 citations Open access
Semantic Scholar
All-Atom Molecular Dynamics-Based Analysis of Membrane-Stabilizing Copolymer Interactions with Lipid Bilayers Probed under Constant Surface Tensions.
Evelyne M. Houang, F. Bates, Y. Sham, J. Metzger
2017Journal of Physical Chemistry B34 citations
Semantic Scholar
Chemical End Group Modified Diblock Copolymers Elucidate Anchor and Chain Mechanism of Membrane Stabilization
Evelyne M. Houang, K. Haman, Mihee M. Kim, Wenjia Zhang +6 more
2017Molecular Pharmaceutics34 citations Open access
Semantic Scholar
Shared catalysis in virus entry and bacterial cell wall depolymerization
Daniel N Cohen, Y. Sham, G. Haugstad, Y. Xiang +3 more
2009Journal of Molecular Biology34 citations Open access
Semantic Scholar
Protein folding and function: the N-terminal fragment in adenylate kinase.
Sandeep Kumar, Y. Sham, Chung-Jung Tsai, R. Nussinov
2001Biophysical Journal34 citations Open access
Semantic Scholar
6-Benzoyl-3-hydroxypyrimidine-2,4-diones as Dual Inhibitors of HIV Reverse Transcriptase and Integrase
Jing Tang, Kasthuraiah Maddali, Christine D. Dreis, Y. Sham +3 more
2011Bioorganic & Medicinal Chemistry Letters33 citations Open access
Semantic Scholar
Scaffold rearrangement of dihydroxypyrimidine inhibitors of HIV integrase: Docking model revisited
Jing Tang, Kasthuraiah Maddali, Y. Pommier, Y. Sham +1 more
2010Bioorganic & Medicinal Chemistry Letters33 citations Open access
Semantic Scholar
Bypass of DNA-Protein Cross-links Conjugated to the 7-Deazaguanine Position of DNA by Translesion Synthesis Polymerases*
Susith Wickramaratne, Shao-Fei Ji, S. Mukherjee, Yan Su +9 more
2016Journal of Biological Chemistry32 citations Open access
Semantic Scholar
pH-Dependent Transport of Pemetrexed by Breast Cancer Resistance Protein
Li Li, Y. Sham, Z. Bikádi, W. Elmquist
2011Drug Metabolism And Disposition32 citations
Semantic Scholar
CD200 Checkpoint Reversal: A Novel Approach to Immunotherapy
Z. Xiong, Elisabet Ampudia Mesias, G. Pluhar, S. Rathe +4 more
2019Clinical Cancer Research30 citations Open access
Semantic Scholar
Maintenance DNA methyltransferase activity in the presence of oxidized forms of 5-methylcytosine: structural basis for ten eleven translocation-mediated DNA demethylation
Christopher L. Seiler, Jenna Fernandez, Zoe M. Koerperich, M. P. Andersen +4 more
2018Biochemistry30 citations Open access
Semantic Scholar
Aptamer adaptive binding assessed by stilbene photoisomerization towards regenerating aptasensors
Yubin Zhou, Yuanyuan Wu, O. Pokholenko, Marissa Grimsrud +4 more
201830 citations Open access
Semantic Scholar
Design and synthesis of sulfoximine based inhibitors for HIV-1 protease.
A. Raza, Y. Sham, R. Vince
2008Bioorganic & Medicinal Chemistry Letters27 citations Open access
Semantic Scholar
Selective inhibition of nicotinamide adenine dinucleotide kinases by dinucleoside disulfide mimics of nicotinamide adenine dinucleotide analogues.
R. Petrelli, Y. Sham, Li-Qiang Chen, K. Felczak +11 more
2009Bioorganic & Medicinal Chemistry25 citations Open access
Semantic Scholar
Peptide/Receptor Co-evolution Explains the Lipolytic Function of the Neuropeptide TLQP-21
B. S. Sahu, P. Rodriguez, Megin E. Nguyen, Ruijun Han +12 more
2019Cell Reports24 citations Open access
Semantic Scholar
Discovery of 1-hydroxypyridine-2-thiones as selective histone deacetylase inhibitors and their potential application for treating leukemia.
R. Muthyala, W. Shin, Jiashu Xie, Y. Sham
2015Bioorganic & Medicinal Chemistry Letters23 citations Open access
Semantic Scholar
Structure and Stability of Human Telomeric G-Quadruplex with Preclinical 9-Amino Acridines
R. Ferreira, R. Artali, Adam R. Benoit, R. Gargallo +4 more
2013PLoS ONE23 citations Open access
Semantic Scholar
Molecular dynamics simulation of Escherichia coli dihydrofolate reductase and its protein fragments: Relative stabilities in experiment and simulations
Y. Sham, B. Ma, Chung-Jung Tsai, R. Nussinov
2001Protein Science23 citations Open access
Semantic Scholar
Discovery of 1-hydroxypyridine-2(1H)-thiones-6-carboxylic acid as a low-cytotoxic, nanomolar metallo β-lactamase inhibitor
Woo-Shik Shin, Alexander Bergstrom, Jiashu Xie, R. Bonomo +3 more
2017ChemMedChem20 citations Open access
Semantic Scholar
The Stories Tryptophans Tell: Exploring Protein Dynamics of Heptosyltransferase I from Escherichia coli
Joy M. Cote, C. A. Ramirez-Mondragon, Zarek Siegel, D. Czyzyk +4 more
2017Biochemistry19 citations Open access
Semantic Scholar
A continuous fluorescence displacement assay for BioA: An enzyme involved in biotin biosynthesis
Daniel J. Wilson, C. Shi, B. Duckworth, Joseph M. Muretta +4 more
2011Analytical Biochemistry19 citations Open access
Semantic Scholar
Pathogenic peptide deviations support a model of adaptive evolution of chordate cardiac performance by troponin mutations.
Nathan J. Palpant, Evelyne M. Houang, W. Delport, K. Hastings +3 more
2010Physiological Genomics19 citations Open access
Semantic Scholar

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