Pinned Repositories
papers
Material from papers from KULL centre
ABPenabledGROMACS
A hacked, hardwired GROMACS-4.5.5 that runs a few types of adaptively biased molecular dynamics
af2complex
Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.
alphafold-multistate
AlphaFold-StepByStep
Run AlphaFold-Multimer step by step
alphafold_non_docker
AlphaFold2 non-docker setup
alphapickle
AMBER-Maestro-lipid-tutorial
Tutorial to build AMBER compatable protein+lipid systems
cg2all
Convert coarse-grained protein structure to all-atom model
SSDraw
yongwangCPH's Repositories
yongwangCPH/cg2all
Convert coarse-grained protein structure to all-atom model
yongwangCPH/SSDraw
yongwangCPH/af2complex
Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.
yongwangCPH/alphafold-multistate
yongwangCPH/AlphaFold-StepByStep
Run AlphaFold-Multimer step by step
yongwangCPH/alphafold_non_docker
AlphaFold2 non-docker setup
yongwangCPH/alphapickle
yongwangCPH/bioicons
A library of free open source icons for science illustrations in biology and chemistry
yongwangCPH/BlenderSpike
A Blender add-on to bring animations from NEURON
yongwangCPH/CCMpred
Protein Residue-Residue Contacts from Correlated Mutations predicted quickly and accurately.
yongwangCPH/cg2at
Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)
yongwangCPH/Ensembler
yongwangCPH/evodock
A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking
yongwangCPH/GREMLIN_CPP
GREMLIN - learn MRF/potts model from input multiple sequence alignment! Implementation now available in C++ and Tensorflow/Python!
yongwangCPH/heme_binder_design
yongwangCPH/MOFF
Implementation of MOFF force field. Please cite us at Latham, A; Zhang, B BioRx, 2021. (https://www.biorxiv.org/content/10.1101/2021.01.06.425600v1.abstract)
yongwangCPH/molstar
A comprehensive macromolecular library
yongwangCPH/moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
yongwangCPH/open3spn2
An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM
yongwangCPH/OPLSAAM
topology and parameter files for the OPLSAAM force field
yongwangCPH/oxdna_analysis_tools
A set of tools to analyze oxDNA/oxRNA simulations of DNA/RNA
yongwangCPH/papers
yongwangCPH/PIM-lipids
yongwangCPH/pore-lipids
yongwangCPH/PyHDX
Derive ΔG for single residues from HDX-MS data
yongwangCPH/staeiou.github.io
Github pages
yongwangCPH/time-from-biased-simulations-tools
Simple tools for obtaining time from biased molecular dynamics simulations
yongwangCPH/vermouth-martinize
Describe and apply transformation on molecular structures and topologies
yongwangCPH/yongwangcph.github.io
WangICSB Lab website
yongwangCPH/yongwangCPHtest.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes