Shape-Based Generative Modeling for de Novo Drug Design-Reference-Cited by-同舟云学术

Shape-Based Generative Modeling for de Novo Drug Design

Published:2019-02-14 Issue:3 Volume:59 Page:1205-1214
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Skalic Miha¹^ORCID,Jiménez José¹^ORCID,Sabbadin Davide¹,De Fabritiis Gianni¹²³^ORCID

Affiliation:

1. Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr Aiguader 88, 08003 Barcelona, Spain

2. Acellera, Barcelona Biomedical Research Park (PRBB), C Dr. Aiguader 88, 08003 Barcelona, Spain

3. Institució Catalana de Recerca i Estudis Avançats (ICREA), Passeig Lluis Companys 23, 08010 Barcelona, Spain

Funder

H2020 Excellent Science

European Regional Development Fund

Ministerio de Econom?a y Competitividad

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.8b00706

Reference58 articles.

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4. KDEEP: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks

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