Scoring and Minimization with AutoDock Vina
Approximate solvation free energy calculator
Software for molecular simulations and trajectory analysis
Standalone application for parsing MD simulation Log files
Massively parallel software for quantum chemistry calculations
a Toolset for Molecular Mechanical Force Field Parameterization
A Refined Empirical Force Field to Model Protein-SAM Interactions
C++ High level framework thinked for javascript
solves nonlinear Kohn-Sham equation for the neutral atom.
Vibrational configuration interaction code for simulating IR spectra
Prediction of PROTtein Preferred Orientation on a Surface
http://dx.doi.org/10.1002/jcc.22968
Carbon Fullerene and Capped Nanotube Generator
VIRTUAL QUANTIFICATION OF PROTEIN STABILITY