| 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 | 4537 | 2012 |
| 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 | 361 | 2010 |
| 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 | 268 | 2012 |
| 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 | 215 | 2005 |
| 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 | 210 | 2008 |
| 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 | 161 | 2010 |
| 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 | 90 | 2008 |
| 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 | 87 | 2014 |
| 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 | 79 | 2007 |
| 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 | 52 | 2010 |
| 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 | 26 | 2012 |
| 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 | 8 | 2011 |
| (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 | 6 | 2013 |
| 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 |
