FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations-Reference-Cited by-同舟云学术

FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations

Published:2021-09-14 Issue:9 Volume:61 Page:4131-4138
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Zavitsanou Stamatia¹²^ORCID,Tsengenes Alexandros¹,Papadourakis Michail¹,Amendola Giorgio³^ORCID,Chatzigoulas Alexios¹²,Dellis Dimitris⁴,Cosconati Sandro³^ORCID,Cournia Zoe¹^ORCID

Affiliation:

1. Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece

2. Information Technologies in Medicine and Biology, Department of Informatics and Telecommunications, National and Kapodistrian University of Athens, 15784 Athens, Greece

3. DiSTABiF, Università della Campania Luigi Vanvitelli, Via Vivaldi 43, 81100 Caserta, Italy

4. Greek Research and Technology Network, S.A., 7 Kifissias Avenue, 11523 Athens, Greece

Funder

European Commission

Associazione Italiana per la Ricerca sul Cancro

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/acs.jcim.1c00215

Reference64 articles.

1. Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances

2. Computer-Aided Drug Design: Lead Discovery and Optimization

3. Efficient Drug Lead Discovery and Optimization

4. Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations

5. High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases

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