Calculations of Absolute Solvation Free Energies with <tt>Transformato</tt>─Application to the FreeSolv Database Using the CGenFF Force Field-Reference-Cited by-同舟云学术

Calculations of Absolute Solvation Free Energies with Transformato─Application to the FreeSolv Database Using the CGenFF Force Field

Author:

Karwounopoulos Johannes¹²^ORCID,Kaupang Åsmund³^ORCID,Wieder Marcus⁴^ORCID,Boresch Stefan¹^ORCID

Affiliation:

1. Faculty of Chemistry, Institute of Computational Biological Chemistry, University of Vienna, Währingerstr. 17, 1090 Vienna, Austria

2. Vienna Doctoral School of Chemistry (DoSChem), University of Vienna, Währingerstr. 42, 1090 Vienna, Austria

3. Department of Pharmacy, Section for Pharmaceutical Chemistry, University of Oslo, 0316 Oslo, Norway

4. Department of Pharmaceutical Sciences, Pharmaceutical Chemistry Division, University of Vienna, Althanstrasse 14, 1090 Vienna, Austria

Funder

Austrian Science Fund

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference74 articles.

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