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@soft-matter-theory-at-icmab-csic

Soft Matter Theory at ICMAB-CSIC

Scientists working in Soft Matter Theory and Simulation at ICMAB-CSIC

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  1. chitin_builder chitin_builder Public

    Chitin builder: A code to build chitin atomistic structures in Visual Molecular Dynamics (VMD)

    Rich Text Format 3 2

  2. COSAN COSAN Public

    Data (topology, structures, forcefields,...) corresponding to our simulations of COSAN Cobalt bis(dicarbollide) anion

    Fortran

Repositories

Showing 10 of 23 repositories
  • COSAN Public

    Data (topology, structures, forcefields,...) corresponding to our simulations of COSAN Cobalt bis(dicarbollide) anion

    soft-matter-theory-at-icmab-csic/COSAN’s past year of commit activity
    Fortran 0 BSD-3-Clause 0 0 0 Updated Dec 12, 2024
  • Graphene_DFT_water_ions_AS Public Forked from jfaraudo/Graphene_DFT_water_ions_AS

    DFT Calculations showing optimized structures of water ions near graphene as published

    soft-matter-theory-at-icmab-csic/Graphene_DFT_water_ions_AS’s past year of commit activity
    0 1 0 0 Updated Dec 12, 2024
  • spike_surface_electrostatics Public

    This repository contains sample data files for PyGBe electrostatic calculations of Spike SARS-CoV-2 proteins and charged surfaces.

    soft-matter-theory-at-icmab-csic/spike_surface_electrostatics’s past year of commit activity
    GLSL 0 GPL-3.0 0 0 0 Updated Sep 25, 2024
  • Native-contacts-determination-from-MD Public Forked from Multiscale-Modelling-of-Complex-Systems/Native-contacts-determination-from-MD

    We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU approach (http://pomalab.ippt.pan.pl/GoContactMap/).

    soft-matter-theory-at-icmab-csic/Native-contacts-determination-from-MD’s past year of commit activity
    Tcl 0 CC0-1.0 1 0 0 Updated Jun 13, 2024
  • tfg_Fenics_Susana_Merce Public Forked from susanamerce/tfg_fisica
    soft-matter-theory-at-icmab-csic/tfg_Fenics_Susana_Merce’s past year of commit activity
    Jupyter Notebook 0 GPL-3.0 1 0 0 Updated Jun 12, 2024
  • pygbe_tutorial Public Forked from marcdomingo2/pygbe_tutorial

    Configuration files and results for PyGBe calculations

    soft-matter-theory-at-icmab-csic/pygbe_tutorial’s past year of commit activity
    Python 1 Apache-2.0 1 0 0 Updated Feb 1, 2024
  • chitin_builder Public

    Chitin builder: A code to build chitin atomistic structures in Visual Molecular Dynamics (VMD)

    soft-matter-theory-at-icmab-csic/chitin_builder’s past year of commit activity
    Rich Text Format 3 BSD-3-Clause 2 0 0 Updated Jan 30, 2024
  • VSV-G Public

    Interaction of VSV-G protein and heparin

    soft-matter-theory-at-icmab-csic/VSV-G’s past year of commit activity
    0 Apache-2.0 0 0 0 Updated Jan 16, 2024
  • anticancer-drug-KRAS4B-G12D Public

    Files for MD simulation of the interactions between drug LIG1 and oncogenic KRAS4B G12D mutant anchoring to cell membrane

    soft-matter-theory-at-icmab-csic/anticancer-drug-KRAS4B-G12D’s past year of commit activity
    Tcl 1 0 0 0 Updated Nov 22, 2023
  • tfg_biofisica_Adrian_Gracia Public Forked from AdrianGracia1/tfg_biofisica

    Archivos utilizados para la realización de mi Trabajo de Fin de Grado en Física.

    soft-matter-theory-at-icmab-csic/tfg_biofisica_Adrian_Gracia’s past year of commit activity
    Python 0 1 0 0 Updated Aug 18, 2023
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