Combining Docking, Molecular Dynamics and the Linear Interaction Energy Method to Predict Binding Modes and Affinities for Non-nucleoside Inhibitors to HIV-1 Reverse Transcriptase-Reference-Cited by-同舟云学术

Combining Docking, Molecular Dynamics and the Linear Interaction Energy Method to Predict Binding Modes and Affinities for Non-nucleoside Inhibitors to HIV-1 Reverse Transcriptase

Published:2008-04-12 Issue:9 Volume:51 Page:2648-2656
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Carlsson Jens¹,Boukharta Lars¹,Åqvist Johan¹

Affiliation:

1. Department of Cell and Molecular Biology, Uppsala University, Biomedical Center, Box 596, SE-751 24 Uppsala, Sweden

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm7012198

Reference58 articles.

1. Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors

2. The role of non-nucleoside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection1Presented at the Eleventh International Conference on Antiviral Research, San Diego, CA, 5–10 April 1998.1

3. New Approaches toward Anti-HIV Chemotherapy

4. Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

5. Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

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