Fang-Yu Lin

Fang-Yu Lin

Pfizer Inc. - New York / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4395439
-
person_outline Fang-Yu Lin's MOST POPULAR ARTICLES
1-) Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand–protein interactionsIS Gutiérrez, FY Lin, K Vanommeslaeghe, JA Lemkul, KA Armacost, ...Bioorganic & medicinal chemistry 24 (20), 4812-4825, 20161512016
2-) Lead compounds for the development of SARS-CoV-2 3CL protease inhibitorsS Iketani, F Forouhar, H Liu, SJ Hong, FY Lin, MS Nair, A Zask, Y Huang, ...Nature communications 12 (1), 2016, 2021772021
3-) Do halogen–hydrogen bond donor interactions dominate the favorable contribution of halogens to ligand–protein binding?FY Lin, AD MacKerell JrThe Journal of Physical Chemistry B 121 (28), 6813-6821, 2017772017
4-) Further optimization and validation of the classical Drude polarizable protein force fieldFY Lin, J Huang, P Pandey, C Rupakheti, J Li, B Roux, AD MacKerell JrJournal of chemical theory and computation 16 (5), 3221-3239, 2020752020
5-) Force fields for small moleculesFY Lin, AD MacKerellBiomolecular simulations: Methods and protocols, 21-54, 2019592019