JCC
2011
12 years 7 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
12 years 7 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
12 years 11 months ago
2011
JCC
2011
12 years 11 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
12 years 11 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
12 years 11 months ago
2011
JCC
2011
12 years 11 months ago
2011
JCC
2011
12 years 11 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
12 years 11 months ago
2011