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Delaram Ghoreishi
Delaram Ghoreishi
在 schrodinger.com 的电子邮件经过验证
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引用次数
引用次数
年份
OPLS4: Improving force field accuracy on challenging regimes of chemical space
C Lu, C Wu, D Ghoreishi, W Chen, L Wang, W Damm, GA Ross, ...
Journal of chemical theory and computation 17 (7), 4291-4300, 2021
7352021
AMBER 2018, University of California, San Francisco
DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ...
Ta [Google Scholar], 2018
474*2018
Sharply Tuned pH Response of Genetic Competence Regulation in Streptococcus mutans: a Microfluidic Study of the Environmental Sensitivity of comX
M Son, D Ghoreishi, SJ Ahn, RA Burne, SJ Hagen
Applied and Environmental Microbiology 81 (16), 5622-5631, 2015
492015
Transferable neural network potential energy surfaces for closed-shell organic molecules: Extension to ions
LD Jacobson, JM Stevenson, F Ramezanghorbani, D Ghoreishi, ...
Journal of Chemical Theory and Computation 18 (4), 2354-2366, 2022
342022
Fast implementation of the nudged elastic band method in AMBER
D Ghoreishi, DS Cerutti, Z Fallon, C Simmerling, AE Roitberg
Journal of chemical theory and computation 15 (8), 4699-4707, 2019
202019
Advancing free-energy calculations of metalloenzymes in drug discovery via implementation of LFMM potentials
S Dajnowicz, D Ghoreishi, K Modugula, W Damm, ED Harder, R Abel, ...
Journal of Chemical Theory and Computation 16 (11), 6926-6937, 2020
122020
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