Soft Matter Theory at ICMAB-CSIC
Scientists working in Soft Matter Theory and Simulation at ICMAB-CSIC
- 4 followers
- Institut de Ciencia de Materials de Barcelona, ICMAB-CSIC
- https://departments.icmab.es/softmattertheory/
- jfaraudo@icmab.es
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Repositories
Showing 10 of 21 repositories
- spike_surface_electrostatics Public
This repository contains the spike protein and planar surface 'pqr' files to perform the calculations in PyGBE.
soft-matter-theory-at-icmab-csic/spike_surface_electrostatics’s past year of commit activity - 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 - 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 - 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 - 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 - 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 - TFG_Toha_2023 Public Forked from ariadnatoha/TFG
TFG project by Ariadna Toha at our group (2022/2023)
soft-matter-theory-at-icmab-csic/TFG_Toha_2023’s past year of commit activity
