Delaram Ghoreishi

OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space

Chao Lü, Chuanjie Wu, Delaram Ghoreishi et al. · Journal of Chemical Theory and Computation · 2021 · 1.9K citations

Pharmacy, Chemistry, Medicinal Chemistry +13

Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions

Leif D. Jacobson, James Stevenson, Farhad Ramezanghorbani et al. · Journal of Chemical Theory and Computation · 2022 · 56 citations

Natural Sciences, Chemistry, Medicinal Chemistry +16

Sharply Tuned pH Response of Genetic Competence Regulation in Streptococcus mutans: a Microfluidic Study of the Environmental Sensitivity of <i>comX</i>

Minjun Son, Delaram Ghoreishi, Sang‐Joon Ahn et al. · Applied and Environmental Microbiology · 2015 · 45 citations · Full text

Life Sciences, Microbiology, Molecular Biology +15

Fast Implementation of the Nudged Elastic Band Method in AMBER

Delaram Ghoreishi, David S. Cerutti, Zachary Fallon et al. · Journal of Chemical Theory and Computation · 2019 · 21 citations · Full text

Life Sciences, Bioinformatics, Biophysics +16

Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials

Steven Dajnowicz, Delaram Ghoreishi, Kalyan Modugula et al. · Journal of Chemical Theory and Computation · 2020 · 18 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17