Computational predictions of host-pathogen interactions using domain and sequence signature. - Dibyajyoti Das; Sowmya Ramaswamy Krishnan; Gopalakrishnan Bulusu; Arijit Roy 003 (BIBM, 2019)

Accelerating De Novo Drug Design against Novel Proteins Using Deep Learning. - Sowmya Ramaswamy Krishnan; Navneet Bung; Gopalakrishnan Bulusu; Arijit Roy 003 (J. Chem. Inf. Model., 2021)

Network-Based Analysis of Fatal Comorbidities of COVID-19 and Potential Therapeutics. - Broto Chakrabarty; Dibyajyoti Das; Gopalakrishnan Bulusu; Arijit Roy 003 (IEEE ACM Trans. Comput. Biol. Bioinform., 2021)

An In Silico Explainable Multiparameter Optimization Approach for De Novo Drug Design against Proteins from the Central Nervous System. - Navneet Bung; Sowmya Ramaswamy Krishnan; Arijit Roy 003 (J. Chem. Inf. Model., 2022)

De Novo Structure-Based Drug Design Using Deep Learning. - Sowmya Ramaswamy Krishnan; Navneet Bung; Sarveswara Rao Vangala; Rajgopal Srinivasan; Gopalakrishnan Bulusu; Arijit Roy 003 (J. Chem. Inf. Model., 2022)

Gex2SGen: Designing Drug-like Molecules from Desired Gene Expression Signatures. - Dibyajyoti Das; Broto Chakrabarty; Rajgopal Srinivasan; Arijit Roy 003 (J. Chem. Inf. Model., 2023)

pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules. - Sarveswara Rao Vangala; Sowmya Ramaswamy Krishnan; Navneet Bung; Rajgopal Srinivasan; Arijit Roy 003 (J. Chem. Inf. Model., 2023)

MolDecor: Leveraging Transformers to Decorate Bioactive Molecules for Property Optimization. - Dibyajyoti Das; Sarveswara Rao Vangala; Arijit Roy 003 (J. Chem. Inf. Model., 2025)