pmx Webserver: A User Friendly Interface for Alchemistry
Author:
Affiliation:
1. Computational Biomolecular Dynamics Group, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, Göttingen, 37077, Germany
Funder
Boehringer Ingelheim
Horizon 2020 Framework Programme
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jcim.6b00498
Reference46 articles.
1. pmx: Automated protein structure and topology generation for alchemical perturbations
2. FESetup: Automating Setup for Alchemical Free Energy Simulations
3. A Python tool to set up relative free energy calculations in GROMACS
4. AlaScan: A Graphical User Interface for Alanine Scanning Free-Energy Calculations
5. GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
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