Prajwal P. Nandekar

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

Yuqi Zhang, Márton Vass, Da Shi et al. · Journal of Chemical Information and Modeling · 2023 · 106 citations

Impact of Crystal Habit on Biopharmaceutical Performance of Celecoxib

Sameer R. Modi, Ajay K. Dantuluri, Vibha Puri et al. · Crystal Growth & Design · 2013 · 93 citations

Pharmaceutical Science, Oral Bioavailability, Engineering +19

Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity

Inderjit Singh Yadav, Prajwal P. Nandekar, Shambhavi Shrivastava et al. · Gene · 2014 · 60 citations

Molecular Docking, Medicinal Chemistry, Ensemble Docking +10

Structure guided design and binding analysis of EGFR inhibiting analogues of erlotinib and AEE788 using ensemble docking, molecular dynamics and MM-GBSA

Vishnu Sharma, Prajwal P. Nandekar, Abhay T. Sangamwar et al. · RSC Advances · 2016 · 57 citations

Ensemble Docking, Molecular Biology, New Egfr Inhibitors +16

An electron transfer competent structural ensemble of membrane-bound cytochrome P450 1A1 and cytochrome P450 oxidoreductase

Goutam Mukherjee, Prajwal P. Nandekar, Rebecca C. Wade · Communications Biology · 2021 · 53 citations · Full text