Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches
Author:
Affiliation:
1. Centre for Molecular Modelling, CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad 500 607, India
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci300385h
Reference73 articles.
1. World AIDS Day report 2011, UNIAIDS.www.unaids.org(accessed August 16, 2012).
2. Modeling Anti-HIV Compounds: The Role of Analogue-Based Approaches
3. The Efficacy of Conceptual DFT Descriptors and Docking Scores on the QSAR Models of HIV Protease Inhibitors
4. Structural and biochemical studies of retroviral proteases
5. A Critical Assessment of Docking Programs and Scoring Functions
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