JCC
2011
13 years 2 months ago
2011
: Molecular recognition plays a fundamental role in all biological processes, and that is why great efforts have been made to understand and predict protein–ligand interactions. ...
JCC
2011
13 years 2 months ago
2011
: Docking is one of the most commonly used techniques in drug design. It is used for both identifying correct poses of a ligand in the binding site of a protein as well as for the ...
JCC
2011
13 years 6 months ago
2011
JCC
2011
13 years 6 months ago
2011
Abstract: With today’s available computer power, free energy calculations from equilibrium molecular dynamics simulations “via counting” become feasible for an increasing num...
JCC
2011
13 years 6 months ago
2011
Abstract: Wordom is a versatile, user-friendly, and efficient program for manipulation and analysis of molecular structures and dynamics. The following new analysis modules have b...
JCC
2011
13 years 6 months ago
2011
JCC
2011
13 years 6 months ago
2011
JCC
2011
13 years 6 months ago
2011
: The Poisson–Boltzmann equation (PBE) is an established model for the electrostatic analysis of biomolecules. The development of advanced computational techniques for the soluti...
JCC
2011
13 years 6 months ago
2011