| Impact of crystal habit on biopharmaceutical performance of celecoxib SR Modi, AKR Dantuluri, V Puri, YB Pawar, P Nandekar, AT Sangamwar, ... Crystal growth & design 13 (7), 2824-2832, 2013 | 92 | 2013 |
| Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity IS Yadav, PP Nandekar, S Shrivastava, A Sangamwar, A Chaudhury, ... Gene 539 (1), 82-90, 2014 | 73 | 2014 |
| Benchmarking refined and unrefined AlphaFold2 structures for hit discovery Y Zhang, M Vass, D Shi, E Abualrous, JM Chambers, N Chopra, C Higgs, ... Journal of Chemical Information and Modeling 63 (6), 1656-1667, 2023 | 72 | 2023 |
| Structure guided design and binding analysis of EGFR inhibiting analogues of erlotinib and AEE788 using ensemble docking, molecular dynamics and MM-GBSA VK Sharma, PP Nandekar, A Sangamwar, H Pérez-Sánchez, SM Agarwal RSC advances 6 (70), 65725-65735, 2016 | 55 | 2016 |
| Inter-subunit interactions drive divergent dynamics in mammalian and Plasmodium actin filaments RG Douglas, P Nandekar, JE Aktories, H Kumar, R Weber, JM Sattler, ... PLoS biology 16 (7), e2005345, 2018 | 47 | 2018 |
| Influence of transmembrane helix mutations on cytochrome P450-membrane interactions and function G Mustafa, PP Nandekar, TJ Camp, NJ Bruce, MC Gregory, SG Sligar, ... Biophysical journal 116 (3), 419-432, 2019 | 37 | 2019 |
| An electron transfer competent structural ensemble of membrane-bound cytochrome P450 1A1 and cytochrome P450 oxidoreductase G Mukherjee, PP Nandekar, RC Wade Communications Biology 4 (1), 55, 2021 | 36 | 2021 |
| An ecofriendly synthesis and DNA binding interaction study of some pyrazolo [1, 5-a] pyrimidines derivatives SS Chobe, BS Dawane, KM Tumbi, PP Nandekar, AT Sangamwar Bioorganic & medicinal chemistry letters 22 (24), 7566-7572, 2012 | 36 | 2012 |
| Plasma protein binding, pharmacokinetics, tissue distribution and CYP450 biotransformation studies of fidarestat by ultra high performance liquid chromatography–high resolution … RM Borkar, MM Bhandi, AP Dubey, PP Nandekar, AT Sangamwar, ... Journal of pharmaceutical and biomedical analysis 102, 386-399, 2015 | 32 | 2015 |
| Ligand tunnels in T. brucei and human CYP51: Insights for parasite-specific drug design X Yu, P Nandekar, G Mustafa, V Cojocaru, GI Lepesheva, RC Wade Biochimica et Biophysica Acta (BBA)-General Subjects 1860 (1), 67-78, 2016 | 30 | 2016 |
| Cytochrome P450 1A1-mediated anticancer drug discovery: in silico findings PP Nandekar, AT Sangamwar Expert opinion on drug discovery 7 (9), 771-789, 2012 | 29 | 2012 |
| On the application of the MARTINI coarse-grained model to immersion of a protein in a phospholipid bilayer G Mustafa, PP Nandekar, X Yu, RC Wade The Journal of Chemical Physics 143 (24), 2015 | 28 | 2015 |
| The effect of force-field parameters on cytochrome P450-membrane interactions: structure and dynamics G Mustafa, PP Nandekar, G Mukherjee, NJ Bruce, RC Wade Scientific reports 10 (1), 7284, 2020 | 27 | 2020 |
| Pregnane X receptor and P-glycoprotein: a connexion for Alzheimer’s disease management S Jain, V Rathod, R Prajapati, PP Nandekar, AT Sangamwar Molecular diversity 18 (4), 895-909, 2014 | 26 | 2014 |
| Characterization of forced degradation products of ketorolac tromethamine using LC/ESI/Q/TOF/MS/MS and in silico toxicity prediction PD Kalariya, B Raju, RM Borkar, D Namdev, S Gananadhamu, ... Journal of mass spectrometry 49 (5), 380-391, 2014 | 26 | 2014 |
| Human pregnane X receptor: a novel target for anticancer drug development V Rathod, S Jain, P Nandekar, AT Sangamwar Drug Discovery Today 19 (1), 63-70, 2014 | 26 | 2014 |
| Characterization of differences in substrate specificity among CYP1A1, CYP1A2 and CYP1B1: an integrated approach employing molecular docking and molecular dynamics simulations SS Kesharwani, PP Nandekar, P Pragyan, V Rathod, AT Sangamwar Journal of Molecular Recognition 29 (8), 370-390, 2016 | 22 | 2016 |
| Chem-bioinformatics and in vitro approaches for candidate optimization: a case study of NSC745689 as a promising antitumor agent PP Nandekar, KM Tumbi, N Bansal, VP Rathod, LB Labhsetwar, ... Medicinal Chemistry Research 22, 3728-3742, 2013 | 22 | 2013 |
| Computational identification of natural product inhibitors against EGFR double mutant (T790M/L858R) by integrating ADMET, machine learning, molecular docking and a dynamics … SM Agarwal, P Nandekar, R Saini RSC advances 12 (26), 16779-16789, 2022 | 21 | 2022 |
| Predicting drug metabolism by CYP1A1, CYP1A2, and CYP1B1: insights from MetaSite, molecular docking and quantum chemical calculations P Pragyan, SS Kesharwani, PP Nandekar, V Rathod, AT Sangamwar Molecular diversity 18 (4), 865-878, 2014 | 20 | 2014 |
Abhay T. SangamwarNational Institute of Pharmaceutical Education and Research (NIPER), MohaliVerified email at niper.ac.in