Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations
نویسندگان
چکیده
منابع مشابه
Fuzzy pharmacophore models from molecular alignments for correlation-vector-based virtual screening.
A pharmacophore-based approach for compiling focused screening libraries is presented. It integrates information from three-dimensional molecular alignments into correlation vector-based database screening. The pharmacophore model is represented by a number of spheres of Gaussian-distributed feature densities. Different degrees of "fuzziness" can be introduced to influence the model's resolutio...
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ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2019
ISSN: 1422-0067
DOI: 10.3390/ijms20235834