Head:
Prof. Wieslaw Nowak, PhD
Description:
In this lab, located at rooms 573 and 2.05, students learn how to perform computer modeling of biomolecules, mainly proteins. Molecular dynamics methods in general, and steered molecular dynamics in particular are used to investigate nanomechanics of biological fibers, biotechnological enzymes, modular neuronal proteins etc. Students can aquire skill in ligand docking techniques and virtual screening – methods used in many big-pharma companies to develop new drugs.
Main software (open source):
VMD – Visual Molecular Dynamics
NAMD – Nanoscale Molecular Dynamics (formerly Not Another Molecular Dynamics Program)
Commercial software:
GaussView
Scigress
Schroedinger Inc. commercial software suite (Maestro, Glide)
Hardware
4 high end graphical Linux/Windows workstations equipped with steroglasses
6DoF manipulators
Small linux computational cluster (parallel computing)
contact: wiesiek [at] fizyka.umk.pl