Baseline model for predicting protein–ligand unbinding kinetics through machine learning

N Amangeldiuly, D Karlov… - Journal of Chemical …, 2020 - ACS Publications
Derivation of structure–kinetics relationships can help rational design and development of
new small-molecule drug candidates with desired residence times. Efforts are now being …
被引用次数：20 相关文章

Baseline Model for Predicting Protein-Ligand Unbinding Kinetics through Machine Learning

N Amangeldiuly, D Karlov… - Journal of chemical …, 2020 - pubmed.ncbi.nlm.nih.gov
Derivation of structure-kinetics relationships can help rational design and development of
new small-molecule drug candidates with desired residence times. Efforts are now being …

[引用][C] Baseline Model for Predicting Protein-Ligand Unbinding Kinetics through Machine Learning

N Amangeldiuly, D Karlov, MV Fedorov - Journal of Chemical Information …, 2020 - elibrary.ru

Baseline Model for Predicting Protein-Ligand Unbinding Kinetics through Machine Learning.

N Amangeldiuly, D Karlov… - Journal of Chemical …, 2020 - europepmc.org
Derivation of structure-kinetics relationships can help rational design and development of
new small-molecule drug candidates with desired residence times. Efforts are now being …

Baseline model for predicting protein-ligand unbinding kinetics through machine learning

N Amangeldiuly, D Karlov… - Journal of Chemical …, 2020 - pureportal.strath.ac.uk
Derivation of structure–kinetics relationships can help rational design and development of
new small-molecule drug candidates with desired residence times. Efforts are now being …