The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineeri...
This paper presents a new GUI architecture for creating advanced interfaces. This model is based on a limited set of general principles that improve flexibility and provide capabi...
The rapid evolution of molecule's imaging and observation's techniques has caused a growing interest in studying molecular structures. Naturally, scientists have turned t...
A new method was proposed by Mongan et al for constant pH molecular dynamics simulation and was implemented in AMBER 8 package. Protonation states are modeled with different char...