New Results
Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database
Guilherme Duarte Ramos Matos, Daisy Y. Kyu, Hannes H. Loeffler, John D. Chodera, Michael R. Shirts, David L. Mobley
doi: https://doi.org/10.1101/104281
Guilherme Duarte Ramos Matos
1Department of Chemistry, University of California, Irvine
Daisy Y. Kyu
2Department of Pharmaceutical Sciences, University of California, Irvine
Hannes H. Loeffler
3Scientific Computing Department, STFC, UK
John D. Chodera
4Computational and Systems Biology Program, Sloan Kettering Institute
Michael R. Shirts
5Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder
David L. Mobley
6Departments of Pharmaceutical Sciences and Chemistry, University of California, Irvine
Article usage
Posted January 30, 2017.
Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database
Guilherme Duarte Ramos Matos, Daisy Y. Kyu, Hannes H. Loeffler, John D. Chodera, Michael R. Shirts, David L. Mobley
bioRxiv 104281; doi: https://doi.org/10.1101/104281
Subject Area
Subject Areas
- Biochemistry (13371)
- Bioengineering (10182)
- Bioinformatics (32560)
- Biophysics (16756)
- Cancer Biology (13850)
- Cell Biology (19670)
- Clinical Trials (138)
- Developmental Biology (10626)
- Ecology (15729)
- Epidemiology (2067)
- Evolutionary Biology (20038)
- Genetics (13232)
- Genomics (18362)
- Immunology (13470)
- Microbiology (31529)
- Molecular Biology (13148)
- Neuroscience (68679)
- Paleontology (509)
- Pathology (2129)
- Pharmacology and Toxicology (3675)
- Physiology (5735)
- Plant Biology (11784)
- Synthetic Biology (3307)
- Systems Biology (8038)
- Zoology (1814)