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105
Voted
JCC
2008
15 years 3 months ago
2008
Loop closure in proteins requires computing the values of the inverse kinematics (IK) map for a backbone fragment with 2n 6 torsional degrees of freedom (dofs). It occurs in a va...
111
Voted
JCC
2008
15 years 3 months ago
2008
Abstract: This article presents a novel concept, the minimal molecular surface (MMS), for the theoretical modeling of biomolecules. The MMS can be viewed as a result of the surface...
123
Voted
JCC
2008
15 years 3 months ago
2008
: Knowledge of structural classes is useful in understanding of folding patterns in proteins. Although existing structural class prediction methods applied virtually all state-of-t...
151
Voted
JCC
2008
15 years 2 months ago
2008
: The prediction of the binding free energy between a ligand and a protein is an important component in the virtual screening and lead optimization of ligands for drug discovery. T...
115
Voted
JCC
2007
15 years 3 months ago
2007
: A recent workshop titled ‘‘Quantitative Computational Biophysics’’ at Florida State University provided an overview of the state of the art in quantitative modeling of bi...