Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies

By Katarzyna B. Koziara, Martin Stroet, Alpeshkumar K. Malde, Alan E. Mark. Journal of Computer-Aided Molecular Design, 2014

491 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Molecular Biology, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/fd2eb397e948e46cdf88d3e3b5041536c0b4de55