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NAFlex: Nucleic Acid Flexibility

nucleR: non-parametric nucleosome positioning

DNAlive: physical analysis of DNA at the genomic scale

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

pyPcazip: PCA-based trajectory file compression and analysis

MoDEL: Molecular Dynamics Extended Library

FlexServ: Protein Flexibility Server

GOdMD: Conformational Transitions with discrete Molecular Dynamics

DASiR: Distributed Annotation System in R

PMut: Pathological Mutations

MDdMD: Maxwell-Demon discrete Molecular Dynamics

Nucleosome Dynamics

Protein Data Bank Local Repository

MDWeb & MDMoby

Curves+ Web Server

PCAsuite: Tool for trajectory compression

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Last most-relevant publications

  • Splice variants of mitofusin 2 shape the endoplasmic reticulum and tether it to mitochondria Science
  • Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway Nature Communications
  • Correlated motions in DNA: beyond base-pair step models of DNA flexibility Nucleic Acids Research
  • Controlled sulfur-based engineering confers mouldability to phosphorothioate antisense oligonucleotides Nucleic Acids Research

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MuG VRE

MuG VRE is now open!

Virtual Research Environment for 3D/4D genomics data

ParmBSC1 force-field

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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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