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RSS Feeds[ASAP] Benchmarking Force Field and the ANI Neural Network Potentials for the Torsional Potential Energy Surface of Biaryl Drug Fragments (Journal of Chemical Information and Modeling)

 
 

2 december 2020 22:18:55

 
[ASAP] Benchmarking Force Field and the ANI Neural Network Potentials for the Torsional Potential Energy Surface of Biaryl Drug Fragments (Journal of Chemical Information and Modeling)
 
Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00904


 
184 viewsCategory: Chemistry
 
[ASAP] Sequential Nucleophilic Arylation/Ring-Contractive Rearrangement of N-Alkoxylactams (Organic Letters)
[ASAP] Advancing GIST-Based Solvent Functionals through Multiobjective Optimization of Solvent Enthalpy and Entropy Scoring Terms (Journal of Chemical Information and Modeling)
 
 
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