☰

Xibing He, Ph.D. - Publications

Affiliations: 
2010 University of Pennsylvania, Philadelphia, PA, United States 
Area:
computer simulation of condensed molecular systems
Tree Info Similar researchers PubMed Report error

19 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 He X, Man VH, Yang W, Lee TS, Wang J. A fast and high-quality charge model for the next generation general AMBER force field. The Journal of Chemical Physics. 153: 114502. PMID 32962378 DOI: 10.1063/5.0019056  0.344
2020 Ji B, Liu S, He X, Man VH, Xie XQ, Wang J. Prediction of the binding affinities and selectivity for CB1 and CB2 ligands using homology modeling, molecular docking, molecular dynamics simulations, and MM-PBSA binding free energy calculations. Acs Chemical Neuroscience. PMID 32196303 DOI: 10.1021/Acschemneuro.9B00696  0.313
2019 Liu S, He X, Man VH, Ji B, Liu J, Wang J. New application of in silico methods in identifying mechanisms of action and key components of anti-cancer herbal formulation YIV-906 (PHY906). Physical Chemistry Chemical Physics : Pccp. PMID 31617551 DOI: 10.1039/C9Cp03803E  0.339
2019 Wu N, Feng Z, He X, Kwon W, Wang J, Xie XQ. Insight of Captagon Abuse by Chemogenomics Knowledgebase-guided Systems Pharmacology Target Mapping Analyses. Scientific Reports. 9: 2268. PMID 30783122 DOI: 10.1038/S41598-018-35449-6  0.303
2019 Man VH, He X, Derreumaux P, Ji B, Xie XS, Nguyen PH, Wang J. Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16-22 Dimer. Journal of Chemical Theory and Computation. PMID 30633867 DOI: 10.1021/Acs.Jctc.8B01107  0.304
2018 Wang Y, Lin W, Wu N, He X, Wang J, Feng Z, Xie XQ. An insight into paracetamol and its metabolites using molecular docking and molecular dynamics simulation. Journal of Molecular Modeling. 24: 243. PMID 30121710 DOI: 10.1007/S00894-018-3790-9  0.329
2017 Zhu Q, Lu Y, He X, Liu T, Chen H, Wang F, Zheng D, Dong H, Ma J. Entropy and Polarity Control the Partition and Transportation of Drug-like Molecules in Biological Membrane. Scientific Reports. 7: 17749. PMID 29255188 DOI: 10.1038/S41598-017-18012-7  0.443
2017 Li H, Chowdhary J, Huang L, He X, MacKerell AD, Roux B. Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic Lipids. Journal of Chemical Theory and Computation. PMID 28731702 DOI: 10.1021/Acs.Jctc.7B00262  0.361
2017 Small MC, Aytenfisu AH, Lin FY, He X, MacKerell AD. Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates. Journal of Computer-Aided Molecular Design. PMID 28190218 DOI: 10.1007/S10822-017-0010-0  0.367
2015 Patel DS, He X, MacKerell AD. Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator. The Journal of Physical Chemistry. B. 119: 637-52. PMID 24564643 DOI: 10.1021/Jp412696M  0.354
2014 Lopes PE, Huang J, Shim J, Luo Y, Li H, Savelyev A, Patel D, He X, Roux B, MacKerell AD. Development of a Polarizable Force Field for Macromolecules Based on the Classical Drude Oscillator Biophysical Journal. 106: 43a. DOI: 10.1016/J.Bpj.2013.11.318  0.368
2013 Lin B, He X, MacKerell AD. A comparative Kirkwood-Buff study of aqueous methanol solutions modeled by the CHARMM additive and Drude polarizable force fields. The Journal of Physical Chemistry. B. 117: 10572-80. PMID 23947568 DOI: 10.1021/Jp4061889  0.318
2013 He X, Hatcher E, Eriksson L, Widmalm G, MacKerell AD. Bifurcated hydrogen bonding and asymmetric fluctuations in a carbohydrate crystal studied via X-ray crystallography and computational analysis. The Journal of Physical Chemistry. B. 117: 7546-53. PMID 23738792 DOI: 10.1021/Jp403719G  0.303
2013 He X, Lopes PE, Mackerell AD. Polarizable empirical force field for acyclic polyalcohols based on the classical drude oscillator. Biopolymers. 99: 724-38. PMID 23703219 DOI: 10.1002/Bip.22286  0.346
2012 Yu W, He X, Vanommeslaeghe K, MacKerell AD. Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulations. Journal of Computational Chemistry. 33: 2451-68. PMID 22821581 DOI: 10.1002/Jcc.23067  0.354
2011 He X, Shinoda W, Devane R, Guvench O, Anderson KL, MacKerell AD, Klein ML. Development of a Coarse-Grained Model for the Surfactant Family of Linear Alkylbenzene Sulfonates Biophysical Journal. 100: 147a. DOI: 10.1016/J.Bpj.2010.12.1009  0.477
2010 He X, Guvench O, Mackerell AD, Klein ML. Atomistic simulation study of linear alkylbenzene sulfonates at the water/air interface. The Journal of Physical Chemistry. B. 114: 9787-94. PMID 20614916 DOI: 10.1021/Jp101860V  0.435
2010 He X, Shinoda W, Devane R, Klein ML. Exploring the utility of coarse-grained water models for computational studies of interfacial systems Molecular Physics. 108: 2007-2020. DOI: 10.1080/00268976.2010.503197  0.459
2010 He X, Shinoda W, DeVane R, Anderson KL, Klein ML. Paramaterization of a coarse-grained model for linear alkylbenzene sulfonate surfactants and molecular dynamics studies of their self-assembly in aqueous solution Chemical Physics Letters. 487: 71-76. DOI: 10.1016/J.Cplett.2010.01.029  0.448
Show low-probability matches.