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Jin Yu Xiang
Jin Yu Xiang
Washington University in St Louis, Schrodinger Inc., Syno Capital, LLC
Verifierad e-postadress på synocapital.com
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OPLS3: a force field providing broad coverage of drug-like small molecules and proteins
E Harder, W Damm, J Maple, C Wu, M Reboul, JY Xiang, L Wang, ...
Journal of chemical theory and computation 12 (1), 281-296, 2016
27512016
Calculating binding free energies of host–guest systems using the AMOEBA polarizable force field
DR Bell, R Qi, Z Jing, JY Xiang, C Mejias, MJ Schnieders, JW Ponder, ...
Physical Chemistry Chemical Physics 18 (44), 30261-30269, 2016
522016
A valence bond model for aqueous Cu (II) and Zn (II) ions in the AMOEBA polarizable force field
JY Xiang, JW Ponder
Journal of computational chemistry 34 (9), 739-749, 2013
492013
An angular overlap model for Cu (II) ion in the AMOEBA polarizable force field
JY Xiang, JW Ponder
Journal of chemical theory and computation 10 (1), 298-311, 2014
322014
Development of Polarizable Force Field Models for Transition Metal Ions
JY Xiang
Washington University in St. Louis, 2013
2013
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Artiklar 1–5