Sean Zhu
Sean Zhu
Verified email at umaryland.edu
Title
Cited by
Cited by
Year
Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone ϕ, ψ and side-chain χ1 and χ2 dihedral angles
RB Best, X Zhu, J Shim, PEM Lopes, J Mittal, M Feig, AD MacKerell Jr
Journal of chemical theory and computation 8 (9), 3257-3273, 2012
27402012
A small-molecule inhibitor of BCL6 kills DLBCL cells in vitro and in vivo
LC Cerchietti, AF Ghetu, X Zhu, GF Da Silva, S Zhong, M Matthews, ...
Cancer cell 17 (4), 400-411, 2010
2912010
Formation of collagen-glycosaminoglycan blended nanofibrous scaffolds and their biological properties
S Zhong, WE Teo, X Zhu, R Beuerman, S Ramakrishna, LYL Yung
Biomacromolecules 6 (6), 2998-3004, 2005
1932005
Rational design of human DNA ligase inhibitors that target cellular DNA replication and repair
X Chen, S Zhong, X Zhu, B Dziegielewska, T Ellenberger, GM Wilson, ...
Cancer research 68 (9), 3169-3177, 2008
1702008
Recent developments and applications of the CHARMM force fields
X Zhu, PEM Lopes, AD MacKerell Jr
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (1), 167-185, 2012
1692012
Accurate calculation of hydration free energies using pair-specific Lennard-Jones parameters in the CHARMM Drude polarizable force field
CM Baker, PEM Lopes, X Zhu, B Roux, AD MacKerell Jr
Journal of chemical theory and computation 6 (4), 1181-1198, 2010
1392010
Identification and validation of human DNA ligase inhibitors using computer-aided drug design
S Zhong, X Chen, X Zhu, B Dziegielewska, KE Bachman, T Ellenberger, ...
Journal of medicinal chemistry 51 (15), 4553-4562, 2008
722008
High incidence of ubiquitin‐like domains in human ubiquitin‐specific proteases
X Zhu, R Ménard, T Sulea
Proteins: Structure, Function, and Bioinformatics 69 (1), 1-7, 2007
662007
Construction and analysis of a human hepatotoxicity database suitable for QSAR modeling using post-market safety data
X Zhu, NL Kruhlak
Toxicology 321, 62-72, 2014
532014
Polarizable empirical force field for sulfur‐containing compounds based on the classical Drude oscillator model
X Zhu, AD MacKerell Jr
Journal of computational chemistry 31 (12), 2330-2341, 2010
472010
Intrinsic energy landscapes of amino acid side-chains
X Zhu, PEM Lopes, J Shim, AD MacKerell Jr
Journal of chemical information and modeling 52 (6), 1559-1572, 2012
232012
Development of the Charmm Polarizable Force Field for Polypeptides Based on Drude Oscillators
PEM Lopes, X Zhu, A Lau, B Roux, AD MacKerell
Biophysical Journal 100 (3), 612a, 2011
82011
(Ala)4‐X‐(Ala)4 as a model system for the optimization of the χ1 and χ2 amino acid side‐chain dihedral empirical force field parameters
J Shim, X Zhu, RB Best, AD MacKerell Jr
Journal of computational chemistry 34 (7), 593-603, 2013
42013
NIH-PA Author Manuscript
X Zhu, PEM Lopes, J Shim, AD MacKerell Jr
J Chem Inf Model 52 (8), 2317-2318, 2012
2012
pKa calculations of protein side chains in explicit solvent using the classical drude polarizable force field
X Zhu, P Lopes, AD MacKerell Jr
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012
2012
Development of Additive and Polarizable Force Field Parameters for Polypeptides
X Zhu
2012
Analysis of Amino Acid Sidechain Chi1, Chi2 Conformational Properties Using Quantum Mechanical and Experimental Crystallographic Survey Data
X Zhu, P Lopes, J Shim, AD MacKerell
Biophysical Journal 100 (3), 147a, 2011
2011
Analysis of amino acid sidechain Chi1, Chi2 conformational properties using quantum mechanical and experimental data
X Zhu, P Lopes, J Shim, AD MacKerell Jr
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 240, 2010
2010
Abstract B236: A small molecule disrupts the BCL6 transcriptional repressor complex and kills lymphoma cells in vitro and in vivo
LC Cerchietti, A Ghetu, X Zhu, G Da Silva, S Zhong, M Matthews, J Polo, ...
Molecular Cancer Therapeutics 8 (12 Supplement), B236-B236, 2009
2009
Computational study of the conformational properties of the amino acid side chains
X Zhu, AD MacKerell Jr
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 238, 2009
2009
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Articles 1–20