Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges
Year: 2018
Type: article
Institution: Michigan State University
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: green
Awards: FRG: Collaborative Research: Variational multiscale approaches to biomolecular structure, dynamics and transport, III: Medium: Geometric and topological approaches to biomolecular structure and dynamics, Synergistic integration of topology and machine learning for the predictions of protein-ligand binding affinities and mutation impacts, Kinetics-Driven Drug Discovery Using Persistent Homology, Rare-Event Molecular Dynamics and Experimental Data
OpenAlex ID: W2963883198