AspirinCode / protein-science

Related projects ⓘ

Alternatives and complementary repositories for protein-science

• wendao / CAGE-Prox
  Computer aided proximal decaging as a universal strategy for temporal protein activation
  ☆21Updated 5 years ago
• brianjimenez / pydock_tutorial
  PyDock Tutorial
  ☆30Updated 6 years ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆41Updated 5 years ago
• bioinfkaustin / gromacs-on-colab
  Google Colab notebooks for running molecular dynamics simulations with GROMACS
  ☆27Updated last year
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 2 years ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 2 years ago
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆26Updated 3 years ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆30Updated 3 weeks ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆59Updated last month
• vmullig / ndm1_design_scripts
  Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1
  ☆16Updated 3 years ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆29Updated 8 months ago
• Hoecker-Lab / protlego
  Automated construction of protein chimeras and their analysis.
  ☆15Updated last year
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆32Updated 11 months ago
• guyujun / FunclibLocal
  Rosetta Funclib
  ☆20Updated 4 years ago
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆36Updated 2 months ago
• gfzhou / OpenVS
  Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
  ☆38Updated last week
• samuelmurail / af_analysis
  Analysis of alphafold and colabfold results
  ☆10Updated 2 weeks ago
• sarisabban / RosettaDesign
  RosettaDesign using PyRosetta
  ☆30Updated 5 years ago
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆19Updated 5 years ago
• Graylab / CAPSIF
  CArbohydrate-Protein Site IdentiFier
  ☆10Updated last year
• ohuelab / ColabFold-cycpep-dock
  Making Protein folding accessible to all!
  ☆18Updated 10 months ago
• LongxingCao / pymol_scripts
  bakerlab pymol scripts
  ☆9Updated 4 years ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆27Updated 7 months ago
• purnawanpp / Docking-4ieh
  Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3
  ☆26Updated 2 months ago
• ikalvet / heme_binder_design
  ☆8Updated last year
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆58Updated last month
• rochoa85 / PepFun2
  PepFun 2.0: improved protocols for the analysis of natural and modified peptides
  ☆20Updated last year
• tlemmin / glycosylator
  Framework for the rapid modeling glycans and glycoproteins.
  ☆28Updated last year
• ELELAB / RosettaDDGPrediction
  ☆46Updated 9 months ago