This is your work, valued
PhD in Bioinformatics. Biologist, Molecular Biologist and Bioinformatician. Designing Proteins computationaly and making my own tools to do so. Plant Lover
protonation-optimizer. Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance
QMMESP. Computing RESP charges of ligands in the local enviroment using QMMM