Modulation of p53 binding to MDM2: computational studies reveal important roles of Tyr100. - Shubhra Ghosh Dastidar; David P. Lane; Chandra S. Verma 001 (BMC Bioinform., 2009)

Peptide Inhibitors of Viral Assembly: A Novel Route to Broad-Spectrum Antivirals. - Karim M. ElSawy; Reidun Twarock; Chandra S. Verma 001; Leo S. D. Caves (J. Chem. Inf. Model., 2012)

Macrostate Identification from Biomolecular Simulations through Time Series Analysis. - Weizhuang Zhou; Efthimios Motakis; Gloria Fuentes; Chandra S. Verma 001 (J. Chem. Inf. Model., 2012)

DNAApp: a mobile application for sequencing data analysis. - Phi-Vu Nguyen; Chandra Shekhar Verma 001; Samuel Ken-En Gan (Bioinform., 2014)

Rclick: a web server for comparison of RNA 3D structures. - Minh N. Nguyen; Chandra S. Verma 001 (Bioinform., 2015)

The interfacial character of antibody paratopes: analysis of antibody-antigen structures. - Minh N. Nguyen; Mohan R. Pradhan; Chandra S. Verma 001; Pingyu Zhong (Bioinform., 2017)

Exploring Gatekeeper Mutations in EGFR through Computer Simulations. - Srinivasaraghavan Kannan; Stephen J. Fox; Chandra S. Verma 001 (J. Chem. Inf. Model., 2019)

Effects of Single Nucleotide Polymorphisms on the Binding of Afatinib to EGFR: A Potential Patient Stratification Factor Revealed by Modeling Studies. - Srinivasaraghavan Kannan; Daniel Shao-Weng Tan; Chandra Shekhar Verma 001 (J. Chem. Inf. Model., 2019)

Discovering Putative Protein Targets of Small Molecules: A Study of the p53 Activator Nutlin. - Minh N. Nguyen; Neeladri Sen; Meiyin Lin; Thomas Leonard Joseph; Candida Vaz; Vivek Tanavde; Luke Way; Ted R. Hupp; Chandra S. Verma 001; M. S. Madhusudhan 001 (J. Chem. Inf. Model., 2019)

Characterization of Hydration Properties in Structural Ensembles of Biomolecules. - Mohan R. Pradhan; Minh N. Nguyen; Srinivasaraghavan Kannan; Stephen J. Fox; Chee Keong Kwoh 001; David P. Lane; Chandra S. Verma 001 (J. Chem. Inf. Model., 2019)

AppA: a web server for analysis, comparison, and visualization of contact residues and interfacial waters of antibody-antigen structures and models. - Minh N. Nguyen; Chandra S. Verma 001; Pingyu Zhong (Nucleic Acids Res., 2019)

Dissecting the Molecular Mechanism of Colistin Resistance in mcr-1 Bacteria. - Jianguo Li; Roger Beuerman; Chandra S. Verma 001 (J. Chem. Inf. Model., 2020)

Extending the Martini Coarse-Grained Force Field to N-Glycans. - Aishwary T. Shivgan; Jan K. Marzinek; Roland G. Huber; Alexander Krah; Richard H. Henchman; Paul Matsudaira; Chandra S. Verma 001; Peter J. Bond (J. Chem. Inf. Model., 2020)

Structural dynamics and allostery of Rab proteins: strategies for drug discovery and design. - Ammu Prasanna Kumar; Chandra S. Verma 001; Suryani Lukman (Briefings Bioinform., 2021)

Computational Methods and Tools in Antimicrobial Peptide Research. - Pietro G. A. Aronica; Lauren M. Reid; Nirali Desai; Jianguo Li; Stephen J. Fox; Shilpa Yadahalli; Jonathan W. Essex; Chandra S. Verma 001 (J. Chem. Inf. Model., 2021)

Systematic benchmarking of 13 AI methods for predicting cyclic peptide membrane permeability. - Wei Liu; Jianguo Li; Chandra S. Verma 001; Hwee Kuan Lee (J. Cheminformatics, 2025)