@article{beautrait:inria-00339119, TITLE = {{Multiple-step virtual screening using VSM-G: overview and validation of fast geometrical matching enrichment.}}, AUTHOR = {Beautrait, Alexandre and Leroux, Vincent and Chavent, Matthieu and Ghemtio, L{\'e}o and Devignes, Marie-Dominique and Smail-Tabbone, Malika and Cai, Wensheng and Shao, Xuegang and Moreau, Gilles and Bladon, Peter and Yao, Jianhua and Maigret, Bernard}, URL = {https://inria.hal.science/inria-00339119}, JOURNAL = {{Journal of Molecular Modeling}}, PUBLISHER = {{Springer Verlag (Germany)}}, VOLUME = {14}, NUMBER = {2}, PAGES = {135-148}, YEAR = {2008}, DOI = {10.1007/s00894-007-0257-9}, KEYWORDS = {Multiple-step virtual screening ; VSM-G ; Structure-based drug design ; Geometrical matching ; Spherical harmonics surfaces ; SHEF ; GOLD ; Molecular database enrichment}, HAL_ID = {inria-00339119}, HAL_VERSION = {v1}, }