10 search results - page 2 / 2 » Molecular Potential Energy Surfaces by Interpolation |
BMCBI
2005
13 years 5 months ago
2005
Background: Estimators of free energies are routinely used to judge the quality of protein structural models. As these estimators still present inaccuracies, they are frequently e...
BMCBI
2008
13 years 5 months ago
2008
Background: Recent approaches for predicting the three-dimensional (3D) structure of proteins such as de novo or fold recognition methods mostly rely on simplified energy potentia...
JCC
2008
13 years 5 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. ...
BMCBI
2008
13 years 5 months ago
2008
Background: Urokinase, its receptor and the integrins are functionally associated and involved in regulation of cell signaling, migration, adhesion and proliferation. No structura...
JCC
2010
13 years 3 months ago
2010
: Experimental and theoretical specific optical rotations (OR) of anhydro, epithio, and epiminoderivatives of methyl tetrofuranosides in chloroform solutions have been compared an...