BIOINFORMATICS TOOLS

Protein Structure Analysis Tools

Protein Structure Modeling

  • Swiss Model – Fully automated protein structure homology-modelling server.
  • Phyre2 – Protein Homology/analogY Recognition Engine V 2.0.
  • SwisDock – A web service to predict the molecular interactions that may occur between a target protein and a small molecule.
  • AutoDock – AutoDock is a suite of automated docking tools.
  • CASP – Protein structure prediction center.
  • Rosetta – The Rosetta software suite includes algorithms for computational modeling and analysis of protein structures. Further, it offers de novo protein design, enzyme design, ligand docking, and structure prediction of biological macromolecules and macromolecular complexes.

Protein 3D Visualization

  • Chimera – a program for the interactive visualization and analysis of molecular structures and related data.
  • ChimeraX – It is the next-generation interactive molecular visualization program.
  • Swiss-PDB Viewer – Application for analyzing several proteins at the same time as well as protein modeling server.
  • PyMol – PyMOL is a molecular visualization system maintained and distributed by Schrödinger.
  • VMD – Molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.
  • RasMol – Molecular visualization tool.

Must Read

VibeGen

MIT Researchers Develop VibeGen: An AI Tool that Designs Novel Proteins by Modeling their...

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Researchers at Mellon University and MIT introduce VibeGen, a generative AI framework for end-to-end de novo protein design conditioned on dynamics. The model generates...
Overview of CLASSIC

Scientists Introduce ‘CLASSIC’ Platform Enabling AI-Driven Genetic Circuit Design

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Researchers from Rice and Boston universities developed CLASSIC, a platform that combines long- and short-read sequencing to measure over 100,000 multi-gene circuits in human...
IntelliFold-2: An Open Source Alternative to AlphaFold 3 With Better Accuracy and Robustness

IntelliFold-2: An Open Source Alternative to AlphaFold 3 With Better Accuracy and Robustness

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The innovators behind intelliFold-2 at IntelliGen AI emphasize that IntelliFold-2 is designed as a state-of-the-art open source alternative to AlphaFold3 with stronger performance in...
GPCRact

How AI Predicts Whether a Drug Actually Works—Not Just Fits

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There is a question that has quietly haunted drug discovery for decades, one that sounds almost too basic to be a problem. A molecule...
RFdiffusion3.

Transforming All-Atom De Novo Design of Protein Using RFdiffusion3

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A major collaboration led by David Baker’s group at the Institute for Protein Design (UW) introduced RFdiffusion3 (RFD3), a next-generation version of the originally...