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Showing results 1 to 6 of 6

1
Development of Force Field Parameters for Oxyluciferin on its Electronic Ground and Excited States

Song, Chang-Ik; Rhee, Young Min, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.111, no.15, pp.4091 - 4105, 2011-12

2
Intimate atomic Cu-Ag interfaces for high CO2RR selectivity towards CH4 at low over potential

Choi, Chungseok; Cai, Jin; Lee, Changsoo; Lee, Hyuck Mo; Xu, Mingjie; Huang, Yu, NANO RESEARCH, v.14, no.10, pp.3497 - 3501, 2021-10

3
Molecular-dynamics simulations for the shock Hugoniot meltings of Cu, Pd and Pt

Jeong, JW; Chang, Kee-Joo, JOURNAL OF PHYSICS-CONDENSED MATTER, v.11, no.19, pp.3799 - 3806, 1999-05

4
Multiplexed-replica exchange molecular dynamics method for protein folding simulation

Rhee, Young Min; Pande, VS, BIOPHYSICAL JOURNAL, v.84, no.2, pp.775 - 786, 2003-02

5
PIGNet: a physics-informed deep learning model toward generalized drug-target interaction predictions

Moon, Seokhyun; Zhung, Wonho; Yang, Soojung; Lim, Jaechang; Kim, Woo Youn, CHEMICAL SCIENCE, v.13, no.13, pp.3661 - 3673, 2022-04

6
Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics

Pascal, Tod A.; Lin, Shiang-Tai; Goddard, William A., PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.13, no.1, pp.169 - 181, 2011

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