IBBR Publications
Found 8 results
Filters: Author is Lin, Fang-Yu [Clear All Filters]
Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field. J Chem Theory Comput. 2020 .
. Force Fields for Small Molecules. Methods Mol Biol. 2019 ;2022:21-54.
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Do Halogen-Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand-Protein Binding?. J Phys Chem B. 2017 ;121(28):6813-6821.
. Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates. J Comput Aided Mol Des. 2017 ;31(4):349-363.
. Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand-protein interactions. Bioorg Med Chem. 2016 ;24(20):4812-4825.
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