ALFA: Automatic Ligand Flexibility Assignment-Reference-Cited by-同舟云学术

ALFA: Automatic Ligand Flexibility Assignment

Published:2014-01-15 Issue:1 Volume:54 Page:314-323
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Klett Javier¹,Cortés-Cabrera Álvaro¹²,Gil-Redondo Rubén¹³,Gago Federico²,Morreale Antonio¹

Affiliation:

1. Unidad de Bioinformática, Centro de Biología Molecular Severo Ochoa (CSIC-UAM), Campus de Cantoblanco UAM, E-28049 Madrid, Spain

2. Área de Farmacología, Departamento de Ciencias Biomédicas, Unidad Asociada de I+D+I al IQM-CSIC, Universidad de Alcalá, Alcalá de Henares, E-28871 Madrid, Spain

3. SmartLigs Bioinformática S.L., Fundación Parque Científico de Madrid, c/Faraday, 7. Campus de Cantoblanco UAM, E-28049 Madrid, Spain

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/ci400453n

Reference23 articles.

1. Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations

2. Frog: a FRee Online druG 3D conformation generator

3. CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures

4. Data-Driven High-Throughput Prediction of the 3-D Structure of Small Molecules: Review and Progress

5. Using Consensus-Shape Clustering To Identify Promiscuous Ligands and Protein Targets and To Choose the Right Query for Shape-Based Virtual Screening

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