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JCC
2000
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15 years 4 months ago
A randomized kinematics-based approach to pharmacophore-constrained conformational search and database screening
Steven M. LaValle, Paul W. Finn, Lydia E. Kavraki,...
80
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JCC
2000
54views more  JCC 2000»
15 years 4 months ago
Universal solvation model based on conductor-like screening model
Derek M. Dolney, Gregory D. Hawkins, Paul Winget, ...
JCC
2000
43views more  JCC 2000»
15 years 4 months ago
Melting behaviors of icosahedral metal clusters studied by Monte Carlo simulations
Young Joo Lee, Jae Yeol Maeng, Eok-Kyun Lee, Bongs...
101
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JCC
2000
58views more  JCC 2000»
15 years 4 months ago
Stabilization in neutral bicyclic sulfoxide compounds
: Density Functional Theory (DFT) calculations at the B3LYP/6-31+G
Redouan El-Bergmi, José Antonio Dobado Jime...
139
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JCC
2000
66views more  JCC 2000»
15 years 4 months ago
The molecular modeling toolkit: A new approach to molecular simulations
The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineeri...
Konrad Hinsen