Electrostatics / apbs

Related projects ⓘ

Alternatives and complementary repositories for apbs

• Electrostatics / pdb2pqr
  PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
  ☆129Updated this week
• maccallumlab / meld
  Modeling with limited data
  ☆54Updated last week
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆66Updated 6 months ago
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆97Updated last year
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆79Updated 3 years ago
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆135Updated 2 months ago
• KULL-Centre / papers
  Material from papers from KULL centre
  ☆66Updated 5 months ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆79Updated 2 months ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆66Updated last year
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆109Updated 5 years ago
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆71Updated 6 months ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆60Updated last year
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆112Updated this week
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆93Updated 8 months ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆59Updated last month
• forlilab / Meeko
  Interface for AutoDock, molecule parameterization
  ☆204Updated this week
• maccallumlab / martini_openmm
  ☆49Updated last year
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆73Updated last year
• cmbi / hssp
  Create DSSP and HSSP files
  ☆83Updated 4 months ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆69Updated 2 years ago
• srnas / barnaba
  Analyse Nucleic Acids Structure and Simulations with baRNAba
  ☆41Updated 8 months ago
• dptech-corp / Uni-GBSA
  An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…
  ☆95Updated 2 weeks ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆13Updated this week
• ccsb-scripps / ADCP
  AutoDock CrankPep for peptide and disordered protein docking
  ☆41Updated 3 years ago
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆108Updated last week
• delalamo / af2_conformations
  A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
  ☆90Updated last year
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆40Updated 3 weeks ago
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆98Updated this week
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆135Updated 3 months ago
• jproney / AF2Rank
  ☆95Updated last year