Results 121 to 130 of about 333,304 (136)

The role of ligand efficiency metrics in drug discovery

Nature Reviews Drug Discovery, 2014
Andrew L Hopkins, Gyorgy M Keseru, Paul D Leeson   +2 more
exaly  

Hierarchical graph representation learning for the prediction of drug-target binding affinity

Information Sciences, 2022
exaly  

A comprehensive map of molecular drug targets

Nature Reviews Drug Discovery, 2016
Rita Santos, Oleg Ursu, Anna Gaulton
exaly  

Drug–target residence time and its implications for lead optimization

Nature Reviews Drug Discovery, 2006
Robert A Copeland, Thomas D Meek
exaly  

Applications of chemogenomic library screening in drug discovery

Nature Reviews Drug Discovery, 2017
Lyn H Jones
exaly  

Identifying drug-target binding affinity using spatial positions

Lakshya Jindal, Prerna Sharma, Tanmye Gorain, Rachit Agarwal, JaiShree Jain   +4 more
openaire   +1 more source

Applying thermodynamic profiling in lead finding and optimization

Nature Reviews Drug Discovery, 2015
Gerhard Klebe
exaly  

DHAG-DTA: Dynamic Hierarchical Affinity Graph Model for Drug-Target Binding Affinity Prediction

IEEE Transactions on Computational Biology and Bioinformatics
Cheng Wang, Yang Liu, Shitao Song, Kun Cao, Xiaoyan Liu, Gaurav Sharma, Maozu Guo   +6 more
openaire   +1 more source

Induced protein degradation: an emerging drug discovery paradigm

Nature Reviews Drug Discovery, 2016
Craig M Crews
exaly  

FragmentDTA: Structural Clustering Network for Drug-Target Affinity Prediction

2025 7th International Conference on Data-driven Optimization of Complex Systems (DOCS)
Jianwei Zhou, Bin Ju, Minchao Ye
openaire   +1 more source