Molecular Modeling and Bioinformatics Group

MoDEL: Molecular Dynamics Extended Library

Protein Data Bank Local Repository

PMut: Pathological Mutations

Curves+ Web Server

pyPcazip: PCA-based trajectory file compression and analysis

FlexServ: Protein Flexibility Server

PCAsuite: Tool for trajectory compression

DNAlive: physical analysis of DNA at the genomic scale

nucleR: non-parametric nucleosome positioning

GOdMD: Conformational Transitions with discrete Molecular Dynamics

DASiR: Distributed Annotation System in R

NAFlex: Nucleic Acid Flexibility

Nucleosome Dynamics

MDdMD: Maxwell-Demon discrete Molecular Dynamics

BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data

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Last most-relevant publications

4D Genome Rewiring during Oncogene-Induced and Replicative Senescence Molecular Cell
Impact of DNA methylation on 3D genome structure Nature Communications
Emergence of chromatin hierarchical loops from protein disorder and nucleosome asymmetry Proceedings of the National Academy of Sciences
Colibactin DNA-damage signature indicates mutational impact in colorectal cancer Nature Medicine

MMB's new website

Molecular Modeling and Bioinformatics group is proud to present its new website.

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Youtube channel

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MuG VRE

MuG VRE is now open!

Virtual Research Environment for 3D/4D genomics data

ParmBSC1 force-field

ParmBSC1 forcefield download

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Nostrum Biodiscovery

Launch of Nostrum BioDiscovery, a spin-off that applies supercomputing to speed up drug discovery

MMB Group

The Molecular Modeling and Bioinformatics (MMB) research group is part of the Joint BSC-CRG-IRB program in Computational Biology. Our group is composed by members of the Institute for Research in Biomedicine (IRB-Barcelona) and the Barcelona Supercomputing Center (BSC) with the long-term objective to understand the behavior of living organisms from the basic rules of physics. In other words, our mission is to represent life by means of theoretical calculations. [more]

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