Similar to タンパク質-リガンドドッキング

Density functional theory

Metadynamics

Møller–Plesset perturbation theory

Morse/Long-range potential

Monte Carlo method

Ribbon diagram

List of quantum chemistry and solid-state physics software

Clemens C. J. Roothaan

World Association of Theoretical and Computational Chemists

Implicit solvation

Ball-and-stick model

Space-filling model

Critical Assessment of Prediction of Interactions

Searching the conformational space for docking

Molecular model

International Chemical Identifier

Molecular Query Language

Open Babel

Simplified Molecular Input Line Entry System

Chemical library

ChEMBL

Molecular descriptor

Chemical similarity

Kimito Funatsu