4 search results - page 1 / 1 » Hierarchical molecular interfaces and solvation electrostati... |
SMA
2009
ACM
13 years 11 months ago
2009
ACM
Electrostatic interactions play a significant role in determining the binding affinity of molecules and drugs. While significant effort has been devoted to the accurate computat...
JCC
2008
13 years 4 months ago
2008
: An explicit ion, implicit water solvent model for molecular dynamics was developed and tested with DNA and RNA simulations. The implicit water model uses the finite difference Po...
JCC
2008
13 years 4 months ago
2008
: Implicit solvent models based on the Poisson-Boltzmann (PB) equation are frequently used to describe the interactions of a biomolecule with its dielectric continuum environment. ...
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...