Search

Categories

Biological and Medicinal Chemistry

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(3)

Last 6 months

(1)

Last 3 months

(1)

Keywords

Authors

Mingtian Zhao

3 results in Authors: Mingtian Zhao

Theoretical and Computational Chemistry

Modeling Ligand Binding Site Water Networks with Site-Identification by Ligand Competitive Saturation: Impact on Ligand Binding Orientations and Relative Binding Affinities

Anmol Kumar, Himanshu Goel, Wenbo Yu, Mingtian Zhao, Alexander D. MacKerell

Version 2 posted 09 September 2024

444

Downloads

Theoretical and Computational Chemistry

Combined physics- and machine-learning-based method to identify druggable binding sites using SILCS-Hotspots

Erik Nordquist, Mingtian Zhao, Anmol Kumar, Alex MacKerell

Version 2 posted 20 August 2024

542

Downloads

1

Citations

Biological and Medicinal Chemistry

High Throughput Ligand Dissociation Kinetics Predictions using Site-Identification by Ligand Competitive Saturation

Wenbo Yu, Shashi Kumar, Mingtian Zhao, David Weber, Alex MacKerell

Version 3 posted 03 April 2025

358

Downloads