e-molecular shapes and properties.
Due to recent computer technology advances, shape analysis has gained importance in all domains. In drug design and proteomics, molecular surfaces (van der Waals surface, solvent accessible surface, solvent excluded surface, polar surface area, electron density surface, separating surface, etc.), buried surfaces (gap, cleft, cavity, etc.) as well as shape properties of these surfaces, can be easily computed and visualized via the Internet. Freely available resources from the Internet for academic use, are reviewed.
Carpy
A J M
AJ
Laboratoire de Physico- et Toxico-Chimie des Systèmes Naturels, UMR 5472 CNRS, Université de Bordeaux 1, 351, Cours de la Libération 33405, Talence cedex, France. a.carpy@lptc.u-bordeaux1.fr
Marchand-Geneste
N
N
D003198:Computer Simulation; D015195:Drug Design; D020407:Internet; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship; D012984:Software