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Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-Based Pose Scoring and Physical Force Field-Based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening
Hsieh, Jui-Hua, Yin, Shuangye, Wang, Xiang S., Liu, Shubin, Dokholyan, Nikolay V., Tropsha, AlexanderVolume:
52
Année:
2012
Langue:
english
Pages:
13
DOI:
10.1021/ci2002507
Fichier:
PDF, 4.49 MB
english, 2012