uibcdf / Study_Group_Pharmacophores

Pharmacophores Study Group
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Schaller2020Next_w8 #5

Open dprada opened 3 years ago

dprada commented 3 years ago

Schaller, David, Dora Šribar, Theresa Noonan, Lihua Deng, Trung Ngoc Nguyen, Szymon Pach, David Machalz, Marcel Bermudez, and Gerhard Wolber. "Next generation 3D pharmacophore modeling." Wiley Interdisciplinary Reviews: Computational Molecular Science 10, no. 4 (2020): e1468.

Some application case studies of pharmacophores. Explains shortly different approaches to integrate molecular dynamics into pharmacophore models. It also briefly covers machine learning methods that are being used for pharmacophore design. Contains a table of available software for pharmacophore modeling.

[by @Daniel-Ibarrola]