Anmol Kumar

9PUBLICATIONS
30CO-AUTHORS
Predictive and prognostic markersComputational chemistryBiomolecular modelling and designStatistical mechanics in chemistryCondensed matter modelling and density functional theory
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Publications (9)

|Apr 06, 2026
Targeting conserved domains of hypoxia-inducible factors for cancer therapy.

Shaima Salman, Tina Y Huang, Yousang Hwang

|Mar 04, 2025
Increasing the Accuracy and Robustness of the CHARMM General Force Field with an Expanded Training Set.

Anastasia Croitoru, Anmol Kumar, Jean-Christophe Lambry

|Dec 05, 2024
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

|Sep 16, 2024
Combined Physics- and Machine-Learning-Based Method to Identify Druggable Binding Sites Using SILCS-Hotspots.

Erik B Nordquist, Mingtian Zhao, Anmol Kumar

|May 01, 2024
FFParam-v2.0: A Comprehensive Tool for CHARMM Additive and Drude Polarizable Force-Field Parameter Optimization and Validation.

Anmol Kumar, Alexander D MacKerell

|Apr 18, 2023
Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids.

Yalun Yu, Richard M Venable, Jonathan Thirman

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Frequent Collaborators

9 joint publications

Alexander D MacKerell

2 joint publications

Wenbo Yu

1 joint publications

Payal Chatterjee

1 joint publications

Mert Y Sengul