| Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies P Manoharan, RSK Vijayan, N Ghoshal Journal of Computer-Aided Molecular Design 24, 843-864, 2010 | 46 | 2010 |
| Stigmatellin Y–An anti-biofilm compound from Bacillus subtilis BR4 possibly interferes in PQS–PqsR mediated quorum sensing system in Pseudomonas aeruginosa S Boopathi, R Vashisth, P Manoharan, R Kandasamy, N Sivakumar Bioorganic & medicinal chemistry letters 27 (10), 2113-2118, 2017 | 37 | 2017 |
| Fragment-based virtual screening approach and molecular dynamics simulation studies for identification of BACE1 inhibitor leads P Manoharan, N Ghoshal Journal of Biomolecular Structure and Dynamics 36 (7), 1878-1892, 2018 | 31 | 2018 |
| Hybrid structure-based virtual screening protocol for the identification of novel BACE1 inhibitors RSK Vijayan, M Prabu, NM Mascarenhas, N Ghoshal Journal of chemical information and modeling 49 (3), 647-657, 2009 | 28 | 2009 |
| Probing the structure of Leishmania donovani chagasi DHFR-TS: comparative protein modeling and protein–ligand interaction studies L Maganti, P Manoharan, N Ghoshal Journal of molecular modeling 16, 1539-1547, 2010 | 24 | 2010 |
| Discovery of safe and orally effective 4-aminoquinaldine analogues as apoptotic inducers with activity against experimental visceral leishmaniasis P Palit, A Hazra, A Maity, RSK Vijayan, P Manoharan, S Banerjee, ... Antimicrobial agents and chemotherapy 56 (1), 432-445, 2012 | 23 | 2012 |
| Combinatorial library enumeration and lead hopping using comparative interaction fingerprint analysis and classical 2D QSAR methods for seeking novel GABAA α3 modulators RSK Vijayan, I Bera, M Prabu, S Saha, N Ghoshal Journal of chemical information and modeling 49 (11), 2498-2511, 2009 | 23 | 2009 |
| Target specific proteochemometric model development for BACE1–protein flexibility and structural water are critical in virtual screening P Manoharan, K Chennoju, N Ghoshal Molecular BioSystems 11 (7), 1955-1972, 2015 | 21 | 2015 |
| Computational analysis of BACE1-ligand complex crystal structures and linear discriminant analysis for identification of BACE1 inhibitors with anti P-glycoprotein binding property P Manoharan, K Chennoju, N Ghoshal Journal of Biomolecular Structure and Dynamics 36 (1), 262-276, 2018 | 16 | 2018 |
| Modeling the Closed and Open State Conformations of the GABAA Ion Channel - Plausible Structural Insights for Channel Gating RSK Vijayan, N Trivedi, SN Roy, I Bera, P Manoharan, PV Payghan, ... Journal of chemical information and modeling 52 (11), 2958-2969, 2012 | 15 | 2012 |
| Computational studies on Begomoviral AC2/C2 proteins KSD Babu, P Manoharan, G Pandi Bioinformation 14 (6), 294, 2018 | 6 | 2018 |
| Rationalizing lead optimization by consensus 2D- CoMFA CoMSIA GRIND (3D) QSAR guided fragment hopping in search of γ-secretase inhibitors P Manoharan, N Ghoshal Molecular diversity 16, 563-577, 2012 | 6 | 2012 |
| Protein-bound fragment based virtual screening (PFVS) approach to identify potential lead fragments as BACE1 inhibitors P Manoharan, N Ghoshal Neuroscience Research, e450, 2010 | 2 | 2010 |
| Computational protein design and protein-ligand interaction studies for the improvement of organophosphorus degrading potential of Deinococcus radiodurans P Manoharan, J Sridhar Journal of Molecular Graphics and Modelling 83, 12-16, 2018 | 1 | 2018 |
| Computational modeling of gamma-secretase inhibitors as anti-Alzheimer agents P Manoharan, N Ghoshal Computational modeling of drugs against Alzheimer’s disease, 283-303, 2018 | 1 | 2018 |
| Neutralization function affected by single amino acid replacement in the HIV-1 antibody targets J Christdas, P Manoharan, S Harshavardhan Bioinformation 11 (2), 57, 2015 | 1 | 2015 |
| In silico studies for designing potential anti alzheimers disease drug candidates using integrated approaches M Prabhu Kolkata, 2013 | 1 | 2013 |
| with Isocitrate Dehydrogenase for Biodiesel Production K Jawaharraj, P Manoharan, RN Krishnaraj, R Karpagam, B Ashokkumar, ... Sustainable Development in Energy and Environment: Select Proceedings of …, 2020 | | 2020 |
| Biomass and Bioenergy Production from Myxosarcina sp.: Molecular Interactions of α-Cyclodextrin with Isocitrate Dehydrogenase for Biodiesel Production K Jawaharraj, P Manoharan, RN Krishnaraj, R Karpagam, B Ashokkumar, ... Sustainable Development in Energy and Environment: Select Proceedings of …, 2020 | | 2020 |
| Evolutionary significance of structural segments trailing beta strand 5 and alpha helix 10 in the design of catalytically active NAL superfamily PM Kumar, P Manoharan bioRxiv, 505230, 2018 | | 2018 |
Vijayan RamaswamyUniversity of Texas, MD Anderson Cancer CenterVerified email at mdanderson.org
