This project applies AI-based de novo protein design to generate synthetic proteins for precise cancer detection. Following the HER2–Herceptin targeting concept, it integrates ML, AlphaFold prediction, and sequence tuning to design high-affinity cancer-binding proteins.

This repository contains the sample that explains how to create MVVM adapter for wpf docking manager for creating MVVM applications.

Code used in the elective course Advanced Computational Methods in Drug Discovery: AI and Physics-Based Simulations at Leiden University.

This example demonstrates how to completely hide the dock panel caption.

In silico identification of CDK1 inhibitors in colorectal cancer

Webpage of the HADDOCK group

Metaeuristics-based approach for drug design and discovery, with aggregative multiobjective fitness function.

My bioinformatics deep loma

The needed elements for three scenarios that use the MDRR.

Straightforwarding Scoring Suite (3S).

Network pharmacology & Molecular docking of Green Bean Coffee for anti-obesity.

Docking Small Molecules into HIV-1 Protease and Visualizing Binding Sites

AutoDock Vina is one of the fastest and most widely used open-source docking engines. It is based on a simple scoring function and rapid gradient-optimization conformational search. It was originally designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab. This fork of Vina adds changes that allow it to be a part of DockingFactory.

In silico simulation between metfomin and oestrogen receptors (ERalpha and ERbeta) and androgen receptors (AR)

mirror of https://git.durrantlab.pitt.edu/jdurrant/binana/

Capsid tiling study

This repository contains rantom but useful scripts for all purposes analysis.

Autohotkey script that detects how many displays you have and then sets the wallpaper you define depending on how many displays. Useful when you Dock and Undock from a multi-monitor setup.

mirror of https://gitlab.com/CaflischLab/SEED