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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)

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|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

1 joint publications

Yalun Yu

1 joint publications

Richard W Pastor

1 joint publications

Benoît Roux

1 joint publications

Jeffery B Klauda

1 joint publications

Erik B Nordquist

1 joint publications

Himanshu Goel

Frequent Collaborators

9 joint publications

Alexander D MacKerell

2 joint publications

Wenbo Yu

1 joint publications

Payal Chatterjee

1 joint publications

Mert Y Sengul

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