Machine learning methods for developments of binding kinetic models in predicting protein‐ligand dissociation rate constants

Abstract Binding kinetic properties of protein–ligand complexes are crucial factors affecting the drug potency. Nevertheless, the current in silico techniques are insufficient in providing accurate and robust predictions for binding kinetic properties. To this end, this work develops a variety of bi...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής

Κύριοι συγγραφείς:	Yujing Zhao, Qilei Liu, Jian Du, Qingwei Meng, Lei Zhang
Μορφή:	Artigo
Γλώσσα:	Inglês
Έκδοση:	Wiley 2023-12-01
Σειρά:	Smart Molecules
Θέματα:	Bayesian neural network binding kinetics dissociation rate constant machine learning protein‐ligand interaction energies
Διαθέσιμο Online:	https://doi.org/10.1002/smo.20230012
Ετικέτες:	Προσθήκη ετικέτας Δεν υπάρχουν, Καταχωρήστε ετικέτα πρώτοι!