Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations-Reference-Cited by-同舟云学术

Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations

Published:2018-05-30 Issue:7 Volume:14 Page:3397-3408
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bastys Tomas¹²^ORCID,Gapsys Vytautas³^ORCID,Doncheva Nadezhda T.¹⁴,Kaiser Rolf⁵,de Groot Bert L.³^ORCID,Kalinina Olga V.¹

Affiliation:

1. Department for Computational Biology and Applied Algorithmics, Max Planck Institute for Informatics, D-66123 Saarbrücken, Germany

2. Saarbrücken Graduate School of Computer Science, University of Saarland, D-66123 Saarbrücken, Germany

3. Computational Biomolecular Dynamics Group, Department of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry, D-37077 Göttingen, Germany

4. Faculty of Health and Medical Sciences, University of Copenhagen, 2200 Copenhagen, Denmark

5. Institute for Virology, University Clinic of Cologne, D-50935 Köln, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01109

Reference87 articles.

1. Survival of HIV-positive patients starting antiretroviral therapy between 1996 and 2013: a collaborative analysis of cohort studies

2. The Stanford HIV Drug Resistance Database. https://hivdb.stanford.edu/dr-summary/resistance-notes/PI/ (accessed May 29, 2018).

3. Mutational patterns and correlated amino acid substitutions in the HIV-1 protease after virological failure to nelfinavir- and lopinavir/ritonavir-based treatments

4. Human Immunodeficiency Virus Type 1 Genotypic and Pharmacokinetic Determinants of the Virological Response to Lopinavir-Ritonavir-Containing Therapy in Protease Inhibitor-Experienced Patients

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