Molecular Modeling and Bioinformatics Group

Protein Data Bank Local Repository

GOdMD: Conformational Transitions with discrete Molecular Dynamics

MDdMD: Maxwell-Demon discrete Molecular Dynamics

NAFlex: Nucleic Acid Flexibility

nucleR: non-parametric nucleosome positioning

DNAlive: physical analysis of DNA at the genomic scale

Nucleosome Dynamics

MoDEL: Molecular Dynamics Extended Library

pyPcazip: PCA-based trajectory file compression and analysis

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

DASiR: Distributed Annotation System in R

PCAsuite: Tool for trajectory compression

PMut: Pathological Mutations

FlexServ: Protein Flexibility Server

Curves+ Web Server

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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

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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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