vina

There are 1 repository under vina topic.

• MengwuXiao / GetBox-PyMOL-Plugin

  A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.

  ledockautodockvinadockingboxpymol-plugin
  Language:Python 73

• Valdes-Tresanco-MS / AMDock

  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

  amdockdockingautodockautodock4znvinapymolscoring
  Language:Python 57
• AMDock-win

  Valdes-Tresanco-MS / AMDock-win

  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

  amdockvinaautodock4pymolautodock4zndocking
  Language:Python 55

• aretasg / dockit

  High-throughput molecular docking with multiple targets and ligands using Vina series engines

  vinaautodockdockinghigh-throughputcomputational-chemistryqvinasminadockerflexible-residuespipeline
  Language:Python 26

• inpacdb / POAP

  Parallelized Open Babel & Autodock suite Pipeline

  virtualscreeningdockingautodockbashvinaopenbabel
  23

• laeeq80 / multi-vina

  Dock Multiple Ligands with AutoDock Vina with one Command

  autodockvinadocking
  Language:C++ 11

• ale94mleon / MolDrug

  MolDrug is a python package for drug-oriented optimization on the chemical space ​

  chemical-spacecheminformaticsdockingdrug-designgenetic-algorithmoptimization-algorithmsrdkitvina
  Language:Python 10

• chengwang88 / vina4dv

  A fork of Autodock Vina for DeltaVina scoring function

  vinadockingprotein-structure
  Language:C++ 8
• AlphaDock

  MiklosKralik / AlphaDock

  Examines ligand interactions with predicted protein structures

  structuralbiologyalphafoldopen-babelautodockvina
  Language:Jupyter Notebook 5

• nguyenanhung / vn-telco-phonenumber

  Library detect carrier Vietnam telco: Viettel, Vina, MobiFone... & Format Phone number

  phone-numbermobifoneviettelvinavietnamobiletelcothudomultimediahungnanguyenanhunglibrary-phone-number
  Language:PHP 5

• HongYhong / dock2interaction_profile

  This is a simple script to use [plip](https://github.com/pharmai/plip) to batch analysis of interactions between proteins and ligands that are results of smina (vina) docking.

  batchvinasminaprotein-ligand-interactions
  Language:Shell 4

• gkxiao / unidock

  some tips for using Uni-Dock

  unidockdockingvina
  Language:Python 1

• JayKayNJIT / covid19

  Drug repurposing for SARS-COV-2: A high-throughput molecular docking, molecular dynamics, machine learning, & ab-initio study

  covid19dockingmddftmlmachine-learningvinaambervasp
  Language:Shell 1

• gkxiao / gnina-scoring-function

  Using GNINA scoring function to rank the pose

  dockinggninavina

• gkxiao / meeko_vina

  Add molecule name into meeko pdbqt

  meekopdbqtsdfvina
  Language:Python

• gkxiao / openbabel_2433

  Step to reproduce the OpenBabel PDBQT tree error resulting in re-docking failure.

  openbabelautodoc-vinavinapdbqt

• insilichem / tangram_vinarelaunch

  Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera

  autodockvinaucsf-chimera
  Language:Python

• jRicciL / Taller_Simulacion_Molecular

  Taller de docking molecular y dinámica molecular

  dockingmolecularpythonvirtual-screeningvinasminaautodockmolecular-dynamics
  Language:Jupyter Notebook