Creation of webhooks microservices in Molecular and backend using Express

Derivative of the PoSym project. The goal is to optimise and keep the core functionality.

Structural Analysis of MSLD Trajectories

Automatisasi simulasi MD menggunakan gromacs untuk multi kompleks protein-ligand dimana setiap kompleks terdiri dari resepetor dan 1 ligand.

A Jupyter notebook designed to solve the time-independent Schrödinger equation for vibrational energies and wavefunctions of (molecular) potential energy curves (PECs).

The One Stop Docking Shop (Coming Feb 2025)

Python code to estimate number of tumor cells and amount DNA, compensated for Tumor Induced Stroma

SIMOLANT, educational 2D molecular dynamics and Monte Carlo app

Staritzbichler R, Anselmi C, Forrest LR, Faraldo-Gómez JD. GRIFFIN: A versatile methodology for optimization of protein-lipid interfaces for membrane protein simulations. J Chem Theory Comput. 2011 Apr 12;7(4):1167-1176. doi: 10.1021/ct100576m. PMID: 24707227; PMCID: PMC3972769.

Learning python by making bioinformatics and molecular bio programs :)

JSMarvinSketch in browser

A simple Python script using Biopython to convert FASTA files to GenBank format. The script prompts the user for input and output filenames, along with the molecule type (default is DNA). Ensure accurate and annotated GenBank files for your biological sequence data.

3D addon for TWOe (without GLU)

a sample microservice with molecular using nodejs

Command Line Interactive Periodic Table of Elements in multiple languages

A simple molecular dynamics Lennard Jones code written in golang

Molecular weight calculator for windows 10

Finding association between clinical, pathological and molecular features