Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.

Kadukova, Maria

Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization. [electronic resource] - Journal of computer-aided molecular design Oct 2017 - 943-958 p. digital

Publication Type: Journal Article

1573-4951

10.1007/s10822-017-0068-8 doi


Algorithms
Binding Sites
Databases, Protein
Drug Design
Humans
Knowledge Bases
Ligands
Machine Learning
Molecular Docking Simulation
Molecular Structure
Protein Binding
Protein Conformation
Proteins--chemistry
Structure-Activity Relationship