A Virtual Screening Approach for Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents Based on Docking and Pharmacophore Models. - Gopalakrishnan Bulusu; V. Aparna; J. Jeevan; M. Ravi; G. R. Desiraju (J. Chem. Inf. Model., 2005)

PlasmoID: A P. falciparum Information Discovery Tool. - Aditya Rao; Sri Jyothsna Yeleswarapu; Gudladona Raghavendra; Rajgopal Srinivasan; Gopalakrishnan Bulusu (Silico Biol., 2009)

Bio Suite as Teaching Platform in a Virtual Environment. - Usha Manne; Sowjanya Gvl; Meenakshi Pradhan; Harini Srinivasan; Navneet Bung; Rajgopal Srinivasan; Gopalakrishnan Bulusu (T4E, 2012)

Structural Insights into E. coli Porphobilinogen Deaminase during Synthesis and Exit of 1-Hydroxymethylbilane. - Navneet Bung; Meenakshi Pradhan; Harini Srinivasan; Gopalakrishnan Bulusu (PLoS Comput. Biol., 2014)

Effects of point mutations on the thermostability of B. subtilis lipase: investigating nonadditivity. - Bipin Singh; Gopalakrishnan Bulusu; Abhijit Mitra (J. Comput. Aided Mol. Des., 2016)

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

Accelerating De Novo Drug Design against Novel Proteins Using Deep Learning. - Sowmya Ramaswamy Krishnan; Navneet Bung; Gopalakrishnan Bulusu; Arijit Roy (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 (IEEE ACM Trans. Comput. Biol. Bioinform., 2021)

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