Xibing He, Ph.D. - Publications

2010 University of Pennsylvania, Philadelphia, PA, United States 
computer simulation of condensed molecular systems

10 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
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  0.68
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  0.68
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  0.76
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  0.76
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  0.76
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  0.76
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  0.76
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  0.76
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  0.76
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  0.76
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