Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Enhancing Semiempirical Quantum Mechanical Scoring with Machine Learning: a new scoring function that accounts for both the enthalpic and entropic contributions to the ligand binding free energy
, Authors:
Thomas Evangelidis, Ilektra-Chara Giassa,, Mario Lovrić
Version 2 posted 27 December 2022
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