Alternatives and similar repositories for Free_Energy_Landscape-MD:

Users that are interested in Free_Energy_Landscape-MD are comparing it to the libraries listed below

• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆32Updated last year
• huhlim / cg2all
  Convert coarse-grained protein structure to all-atom model
  ☆37Updated 10 months ago
• Hoecker-Lab / protlego
  Automated construction of protein chimeras and their analysis.
  ☆14Updated last year
• GMdSilva / gms_natcomms_1705932980_data
  Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2
  ☆39Updated 11 months ago
• hongliangduan / HighFold
  ☆23Updated 11 months ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆31Updated last month
• atommoyer / stapler
  A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins
  ☆18Updated last year
• briandasantini / cPEPmatch
  Tool to design cyclic peptides that mimic proteins and target their binding partners.
  ☆11Updated 9 months ago
• sulfierry / free_energy_landscape
  The Free Energy Landscape Analysis tool offers a comprehensive suite for analyzing and visualizing the free energy landscape derived from…
  ☆20Updated 2 months ago
• mangeshdamre / Free-Energy-Landscape
  ☆12Updated 4 years ago
• fmaschietto / mdigest
  ☆31Updated 6 months ago
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆54Updated last year
• forlilab / cosolvkit
  CosolvKit is a versatile tool for cosolvent MD preparation and analysis
  ☆23Updated last week
• Kuhlman-Lab / proteinmpnn
  our in-house version of ProteinMPNN
  ☆16Updated 2 months ago
• ibmm-unibe-ch / glycosylator
  A Python framework for the rapid modeling of glycans
  ☆14Updated 2 months ago
• GHeinzelmann / GHOAT.py
  The Guest HOst Affinity Tool (GHOAT.py) is a fully automated tool for absolute binding free energy calculations on guest-host systems.
  ☆18Updated 8 months ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆46Updated this week
• iamysk / AFsample2
  Modelling protein conformational landscape with Alphafold
  ☆47Updated last week
• guyujun / FunclibLocal
  Rosetta Funclib
  ☆20Updated 4 years ago
• huhlim / alphafold-multistate
  ☆35Updated last year
• tiwarylab / alphafold2rave
  ☆68Updated 9 months ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆39Updated 3 weeks ago
• iriziotis / Uniprot-PDB-mapper
  Quick mapping of Uniprot sequences to PDB structures
  ☆29Updated 3 weeks ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆60Updated last month
• msmbuilder / msmbuilder2022
  Statistical models for biomolecular dynamics
  ☆38Updated 6 months ago
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆69Updated 3 months ago
• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆17Updated 4 years ago
• KULL-Centre / _2024_Cao_CALVADOSCOM
  ☆16Updated 2 weeks ago
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆26Updated 3 years ago