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Lin Frank Song
Lin Frank Song
西湖(杭州)制药有限公司 Westlake Pharmaceutical
Verified email at westlake-pharma.com
Title
Cited by
Cited by
Year
Phenylenediamine-Based FeNx/C Catalyst with High Activity for Oxygen Reduction in Acid Medium and Its Active-Site Probing
Q Wang, ZY Zhou, YJ Lai, Y You, JG Liu, XL Wu, E Terefe, C Chen, ...
Journal of the American chemical Society 136 (31), 10882-10885, 2014
6432014
S‐doping of an Fe/N/C ORR catalyst for polymer electrolyte membrane fuel cells with high power density
YC Wang, YJ Lai, L Song, ZY Zhou, JG Liu, Q Wang, XD Yang, C Chen, ...
Angewandte Chemie 127 (34), 10045-10048, 2015
5282015
Systematic parameterization of monovalent ions employing the nonbonded model
P Li, LF Song, KM Merz Jr
Journal of chemical theory and computation 11 (4), 1645-1657, 2015
3762015
Parameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit water
P Li, LF Song, KM Merz Jr
The Journal of Physical Chemistry B 119 (3), 883-895, 2015
3022015
Using AMBER18 for relative free energy calculations
LF Song, TS Lee, C Zhu, DM York, KM Merz Jr
Journal of chemical information and modeling 59 (7), 3128-3135, 2019
1672019
Parameterization of monovalent ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB water models
A Sengupta, Z Li, LF Song, P Li, KM Merz Jr
Journal of chemical information and modeling 61 (2), 869-880, 2021
1112021
Evolution of alchemical free energy methods in drug discovery
LF Song, KM Merz Jr
Journal of Chemical Information and Modeling 60 (11), 5308-5318, 2020
842020
Systematic parametrization of divalent metal ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB water models
Z Li, LF Song, P Li, KM Merz Jr
Journal of chemical theory and computation 16 (7), 4429-4442, 2020
812020
Parametrization of trivalent and tetravalent metal ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB water models
Z Li, LF Song, P Li, KM Merz Jr
Journal of chemical theory and computation 17 (4), 2342-2354, 2021
392021
Thermodynamics of transition metal ion binding to proteins
LF Song, A Sengupta, KM Merz Jr
Journal of the American Chemical Society 142 (13), 6365-6374, 2020
352020
The role of the active site flap in streptavidin/biotin complex formation
N Bansal, Z Zheng, LF Song, J Pei, KM Merz Jr
Journal of the American Chemical Society 140 (16), 5434-5446, 2018
222018
Detailed potential of mean force studies on host–guest systems from the SAMPL6 challenge
LF Song, N Bansal, Z Zheng, KM Merz
Journal of computer-aided molecular design 32, 1013-1026, 2018
192018
Random forest refinement of pairwise potentials for protein–ligand decoy detection
J Pei, Z Zheng, H Kim, LF Song, S Walworth, MR Merz, KM Merz Jr
Journal of Chemical Information and Modeling 59 (7), 3305-3315, 2019
162019
Generation of pairwise potentials using multidimensional data mining
Z Zheng, J Pei, N Bansal, H Liu, LF Song, KM Merz Jr
Journal of Chemical Theory and Computation 14 (10), 5045-5067, 2018
132018
Effect of an inhibitor on the ACE2-receptor-binding domain of SARS-COV-2
G Sharma, LF Song, KM Merz
Journal of chemical information and modeling 62 (24), 6574-6585, 2022
102022
Accurate Metal–Imidazole Interactions
Z Li, LF Song, G Sharma, B Koca Fındık, KM Merz Jr
Journal of Chemical Theory and Computation 19 (2), 619-625, 2022
82022
Validation of AMBER/GAFF for relative free energy calculations
L Song, TS Lee, C Zhu, DM York, KM Merz Jr
62019
Mechanism of formation of the nonstandard product in the prenyltransferase reaction of the G115T mutant of FtmPT1: a case of reaction dynamics calling the shots?
LL Pan, LF Song, Y Miao, Y Yang, KM Merz Jr
Biochemistry 56 (24), 2995-3007, 2017
62017
Pair Potentials as Machine Learning Features
J Pei, LF Song, KM Merz Jr
Journal of Chemical Theory and Computation 16 (8), 5385-5400, 2020
42020
Thermodynamics of Metal–Acetate Interactions
M Jafari, Z Li, LF Song, L Sagresti, G Brancato, KM Merz Jr
The Journal of Physical Chemistry B 128 (3), 684-697, 2024
22024
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