Prajwal P. Nandekar
Purdue University West Lafayette(US)Elanco (United States)(US)
Publications by Year
Research Areas
Pharmacogenetics and Drug Metabolism, Computational Drug Discovery Methods, Protein Structure and Dynamics, Drug Transport and Resistance Mechanisms, Synthesis and biological activity
Most-Cited Works
- → Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery(2023)110 cited
- → Impact of Crystal Habit on Biopharmaceutical Performance of Celecoxib(2013)94 cited
- → Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity(2014)60 cited
- → Structure guided design and binding analysis of EGFR inhibiting analogues of erlotinib and AEE788 using ensemble docking, molecular dynamics and MM-GBSA(2016)57 cited
- → An electron transfer competent structural ensemble of membrane-bound cytochrome P450 1A1 and cytochrome P450 oxidoreductase(2021)53 cited
- → Inter-subunit interactions drive divergent dynamics in mammalian and Plasmodium actin filaments(2018)51 cited
- → Influence of Transmembrane Helix Mutations on Cytochrome P450-Membrane Interactions and Function(2019)43 cited
- → The Effect of Force-Field Parameters on Cytochrome P450-Membrane Interactions: Structure and Dynamics(2020)34 cited
- → Computational identification of natural product inhibitors against EGFR double mutant (T790M/L858R) by integrating ADMET, machine learning, molecular docking and a dynamics approach(2022)28 cited