P
Polamarasetty Aparoy
Researcher at Central University of Himachal Pradesh
Publications - 28
Citations - 812
Polamarasetty Aparoy is an academic researcher from Central University of Himachal Pradesh. The author has contributed to research in topics: Docking (molecular) & Binding site. The author has an hindex of 13, co-authored 28 publications receiving 692 citations. Previous affiliations of Polamarasetty Aparoy include Indian Institute of Petroleum & University of Hyderabad.
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EasyModeller: A graphical interface to MODELLER
TL;DR: The study was designed with an aim to develop of "EasyModeller" tool as a frontend graphical interface to MODELLER using Perl/Tk, which can be used as a standalone tool in windows platform with MODEllER and Python preinstalled.
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Structure and Ligand Based Drug Design Strategies in the Development of Novel 5-LOX Inhibitors
TL;DR: A comprehensive review on structure based drug design strategies in the development of novel 5-LOX inhibitors is presented in this article.
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Free Energy Calculations to Estimate Ligand-Binding Affinities in Structure-Based Drug Design
M. Rami Reddy,C. Ravikumar Reddy,Ravindranath S. Rathore,Mark D. Erion,Polamarasetty Aparoy,R. Nageswara Reddy,Pallu Reddanna +6 more
TL;DR: Results using a recently developed Quantum Mechanics (QM)/Molecular Mechanics (MM) based Free Energy Perturbation (FEP) method, which has the potential to provide a very accurate estimation of binding affinities to date has been discussed.
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Computer aided drug design approaches to develop cyclooxygenase based novel anti-inflammatory and anti-cancer drugs.
TL;DR: The present study reviews various Computer Aided Drug Design (CADD) approaches to develop Cyclooxygenase based anti-inflammatory and anti-cancer drugs.
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Homology modeling of 5-lipoxygenase and hints for better inhibitor design.
TL;DR: The homology modeling technique has been used to construct the structure of potato 5-LOX and the results correlated well with the experimental data reported, which proved the quality of the model.