PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein–Lipid-Bilayer System Building-Reference-Cited by-同舟云学术

PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein–Lipid-Bilayer System Building

Published:2019-05-23 Issue:6 Volume:59 Page:2522-2528
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Schott-Verdugo Stephan¹²,Gohlke Holger¹³^ORCID

Affiliation:

1. Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany

2. Centro de Bioinformática y Simulación Molecular (CBSM), Faculty of Engineering, Universidad de Talca, 1 Poniente 1141, Casilla 721, Talca, Chile

3. John von Neumann Institute for Computing (NIC), Jülich Supercomputing Centre (JSC) & Institute for Complex Systems—Structural Biochemistry (ICS 6), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

Funder

Deutsche Forschungsgemeinschaft

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.9b00269

Reference49 articles.

1. Trends in the exploitation of novel drug targets

2. Drug discovery strategies to outer membrane targets in Gram-negative pathogens

3. Membrane proteins structures: A review on computational modeling tools

4. Molecular Simulation Approaches to Membrane Proteins

5. MEMBRANE PACKING PROBLEMS: A SHORT REVIEW ON COMPUTATIONAL MEMBRANE MODELING METHODS AND TOOLS

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