Kenneth Merz
0000-0001-9139-5893
8 papers found
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Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
AlphaFold2 in Molecular Discovery
AmberTools
AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways
The (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods
Quantum Chemistry Calculations for Metabolomics
What Makes a Paper Be Highly Cited? 60 Years of the Journal of Chemical Information and Modeling
Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry
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