Yasuoka Laboratory conducts research on how atoms and molecules move in soft materials, such as fluids and biological systems. To do this, the Lab uses...
www.chem.ucl.ac.uk/ice: Molecular dynamics simulation of salt dissolving in water. The chlorine ions are shown in yellow, sodium in blue. The large chlorine dissociates from the...
The main objective of OpenMol is the visualization of molecular dynamics simulation data into OpenSim and has been elaborated with the collaboration of Dr. Andreas...
Feynman Path Integral Ab Initio Molecular Dynamics sampling of the umbrella sampling window corresponding to the product of the double proton transfer in the FI-FA...
This video demonstrates a typical docking situation in SAMSON, where the adaptive algorithm automatically focuses computational resources on the most relevant interactions in the docking...