Ariel Warshel

41PUBLICATIONS
113CO-AUTHORS
Deep learningBiomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsProteins and peptidesNeurology and neuromuscular diseases
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Publications (41)

|Aug 20, 2026
An Explicit Interaction-Prompted Diffusion Framework for High-Fidelity 3D Molecular Generation.

|Jul 03, 2026
Systematic Modeling of Covalent Inhibitors of SARS-CoV-2 Main Protease and Its Mutants.

|May 13, 2026
Computational Insights into the Activation Mechanism of CXCR4: Implications for the Design of Small Molecule Agonists.

|Feb 06, 2026
Combating Antiviral Drug Resistance: A Multipronged Strategy.

Jiao Zhou, Ashim Nandi, Yan Xu

|Dec 19, 2025
What Determines the Directionality of Kinesins? Studying the Anomalous Directionality of Nonclaret Disjunctional Motor Mutants.

Ritaban Halder, Linfeng Hu, Arieh Warshel

|Dec 13, 2025
Semi-inductive dataset construction and framework optimization for practical drug target interaction prediction with ScopeDTI.

Yigang Chen, Xiang Ji, Ziyue Zhang

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Frequent Collaborators

7 joint publications

Chen Bai

6 joint publications

Ashim Nandi

6 joint publications

Arjun Saha

5 joint publications

Dibyendu Mondal