Abhay T. Sangamwar

Translocation mechanism of P-glycoprotein and conformational changes occurring at drug-binding site: Insights from multi-targeted molecular dynamics

Rameshwar Prajapati, Abhay T. Sangamwar · Biochimica et Biophysica Acta (BBA) - Biomembranes · 2014 · 57 citations

Protein Assembly, Biochemistry, Protein Folding +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

Oleanolic acid analogs as NO, TNF-α and IL-1β inhibitors: Synthesis, biological evaluation and docking studies

Pamita Bhandari, Neeraj Patel, Rahul P. Gangwal et al. · Bioorganic & Medicinal Chemistry Letters · 2014 · 41 citations

Medicinal Chemistry, Anti-inflammatory, Biochemistry +11

In silico model for P-glycoprotein substrate prediction: insights from molecular dynamics and in vitro studies

Rameshwar Prajapati, Udghosh Singh, Abhijeet Patil et al. · Journal of Computer-Aided Molecular Design · 2013 · 39 citations

Silico Model, Biochemistry, Biomolecular Structure Prediction +13

Exploring glycolate oxidase (GOX) as an antiurolithic drug target: Molecular modeling and in vitro inhibitor study

Amol L. Shirfule, Abhay T. Sangamwar, Chandrahasya N. Khobragade · International Journal of Biological Macromolecules · 2011 · 38 citations

Antiurolithic Drug Target, Biochemistry, Glycolate Oxidase +8