Retrieval of promiscuous natural compounds using multiple targets docking strategy: A case study on kinase polypharmacology. - Chirag N. Patel; Sivakumar Prasanth Kumar; Himanshu A. Pandya; Krunal M. Modi; Daxesh P. Patel; Frank J. Gonzalez (BIBM, 2017)

Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding. - Sivakumar Prasanth Kumar; Chirag N. Patel; Prakash Chandra Jha 002; Himanshu A. Pandya (Comput. Biol. Chem., 2017)

Identification of novel inhibitors of SARS-CoV-2 main protease (Mpro) from Withania sp. by molecular docking and molecular dynamics simulation. - Surjeet Verma; Chirag N. Patel; Muktesh Chandra (J. Comput. Chem., 2021)

Computational investigation of natural compounds as potential main protease (Mpro) inhibitors for SARS-CoV-2 virus. - Chirag N. Patel; Siddhi P. Jani; Sivakumar Prasanth Kumar; Krunal M. Modi; Yogesh Kumar (Comput. Biol. Medicine, 2022)

PharmRF: A machine-learning scoring function to identify the best protein-ligand complexes for structure-based pharmacophore screening with high enrichments. - Sivakumar Prasanth Kumar; Nandan Y. Dixit; Chirag N. Patel; Rakesh M. Rawal; Himanshu A. Pandya (J. Comput. Chem., 2022)

VISH-Pred: an ensemble of fine-tuned ESM models for protein toxicity prediction. - Raghvendra Mall; Ankita Singh; Chirag N. Patel; Gregory Guirimand; Filippo Castiglione (Briefings Bioinform., 2024)