Combinatorial Library Enumeration and Lead Hopping using Comparative Interaction Fingerprint Analysis and Classical 2D QSAR Methods for Seeking Novel GABAA α3 Modulators. - R. S. K. Vijayan; Indrani Bera; Prabu Manoharan; Sangita Saha; Nanda Ghoshal (J. Chem. Inf. Model., 2009)

Hybrid Structure-Based Virtual Screening Protocol for the Identification of Novel BACE1 Inhibitors. - R. S. K. Vijayan; Prabu Manoharan; Nahren Manuel Mascarenhas; Nanda Ghoshal (J. Chem. Inf. Model., 2009)

Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies. - Prabu Manoharan; R. S. K. Vijayan; Nanda Ghoshal (J. Comput. Aided Mol. Des., 2010)

Modeling the Closed and Open State Conformations of the GABAA Ion Channel - Plausible Structural Insights for Channel Gating. - R. S. K. Vijayan; Neha Trivedi; Sudipendra Nath Roy; Indrani Bera; Prabu Manoharan; Pavan V. Payghan; Dhananjay Bhattacharyya; Nanda Ghoshal (J. Chem. Inf. Model., 2012)

Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015. - Nan-Jie Deng; William F. Flynn; Junchao Xia; R. S. K. Vijayan; Baofeng Zhang; Peng He; Ahmet Mentes; Emilio Gallicchio; Ronald M. Levy (J. Comput. Aided Mol. Des., 2016)

Structure-based virtual screening workflow to identify antivirals targeting HIV-1 capsid. - Qinfang Sun; Avik Biswas; R. S. K. Vijayan; Pierrick Craveur; Stefano Forli; Arthur J. Olson; Andres Emanuelli Castaner; Karen Kirby; Stefan G. Sarafianos; Nan-Jie Deng; Ronald M. Levy (J. Comput. Aided Mol. Des., 2022)