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JCC
2000
14 years 9 months ago
2000
The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineeri...
JCC
2000
14 years 9 months ago
2000
JCC
2002
14 years 9 months ago
2002
: The evaluation of the electron density based similarity function scales quadratically with respect to the size of the molecules for simplified, atomic shell densities. Due to the...
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JCC
2002
14 years 9 months ago
2002
: A new method for the characterization of molecules based on the model approach of molecular surfaces is presented. We use the topographical properties of the surface as well as t...
JCC
2002
14 years 9 months ago
2002
: In an effort to develop a dielectric screening function for molecular dynamics simulations of biomolecules in implicit solvent, effective dielectric constants (Deff) for a large ...