C&EN21d
Unifying the Description of Hydrocarbons and Hydrogenated Carbon Materials with a Chemically Reactive Machine Learning Interatomic Potential
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. We present a general-purpose machine learning (ML) interatomic potential for carbon ...
C&EN1mon
Development of Receptor Desolvation Scoring and Covalent Sampling in DOCK 6: Methods Evaluated on a RAS Test Set
NCI RAS Initiative, Cancer Research Technology Program, Frederick National Laboratory for Cancer Research, Leidos Biomedical Research, Inc., P.O. Box B, Frederick 21702, Maryland, United States ...