MDWeb and MDMoby
Computational Tool
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General Information
DescriptionAn integrated web-based platform for molecular dynamics simulations
Homepagehttp://mmb.irbbarcelona.org/MDWeb
Publications
MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations
Adam Hospital; Pau Andrio; Carles Fenollosa; Damjan Cicin-Sain; Modesto Orozco; Josep Lluís Gelpí
Summary: MDWeb and MDMoby constitute a web-based platform to help access to molecular dynamics (MD) in the standard and high-throughput regime. The platform provides tools to prepare systems from PDB structures mimicking the procedures followed by human experts. It provides inputs and can send simulations for three of the most popular MD packages (Amber, NAMD and Gromacs). Tools for analysis of trajectories, either provided by the user or retrieved from our MoDEL database (http://mmb.pcb.ub.es/MoDEL) are also incorporated. The platform has two ways of access, a set of web-services based on the BioMoby framework (MDMoby), programmatically accessible and a web portal (MDWeb).
Availability: http://mmb.irbbarcelona.org/MDWeb; additional information and methodology details can be found at the web site (http://mmb.irbbarcelona.org/MDWeb/help.php)
Contact: gelpi@ub.edu; modesto.orozco@irbbarcelona.org
Supplementary information: Supplementary data are available at Bioinformatics online.
DOI: https://doi.org/10.1093/bioinformatics/bts139
Metrics:
21
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