Superimpose a set of protein structures and report a RSMD matrix, in CSV and Mega-compatible formats, using Pymol as a module

Create pseudoatoms at the centroid of the catalytic atoms of a residue

Performs large-scale ligand identification, curation and extraction from human structures in the Protein Data Bank.

an addon to create proteins

PSIST algorithm to index and query 3D protien structures

Meta-Bio-Cargo predict #Ru-Bi-CO-S protein

This is a plugin for PyMol 2.x under Windows to find and show Ca-ion sites in a protein structure in pdb format using the Feature program.

The aim of this project is to correctly predict the con- tact types in given protein structures, which are to be pre- sented in PDB file format. MODELS: Random Forest, Neural Network, Support Vector Machine.

Python implementation of 3D Zernike moments with NumPy

In this research project a standardised AlphaFold 2-based molecular replacement strategy is developed and implemented in an existing biomolecule structure solution pipeline at MAX IV Laboratory. It can be run on high performance clusters similar to the LUNARC (https://www.lunarc.lu.se/). A standalone and implemented version of the pipeline exists.

InteractoMIX: a suite of computational tools to exploit interactomes in biological and clinical research.

Alignement structurale d'une séquence protéique sur une structure protéique 3D.

Mapping Pharos Targets to PDB IDs

Course schedule from experience as a selected Undergraduate Teaching Assistant at the University of Pittsburgh course, BIOSC 1540 - Computational Structural Biology, taught by Dr. Jacob Durrant.

classification of human cdk2 conformations

This repository contains codes for the regeneration of figures 3b and 3g in Tam, C., Kukimoto-Niino, M., Miyata-Yabuki, Y. et al. Targeting Ras-binding domain of ELMO1 by computational nanobody design. Commun Biol 6, 284 (2023).

PPM.Mk.I.Beta