2002 |
10 | EE | Olgun Guvench,
Jörg Weiser,
Peter S. Shenkin,
István Kolossváry,
W. Clark Still:
Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy.
Journal of Computational Chemistry 23(2): 214-221 (2002) |
1999 |
9 | EE | Jörg Weiser,
Peter S. Shenkin,
W. Clark Still:
Approximate atomic surfaces from linear combinations of pairwise overlaps (LCPO).
Journal of Computational Chemistry 20(2): 217-230 (1999) |
8 | EE | Jörg Weiser,
Peter S. Shenkin,
W. Clark Still:
Fast, approximate algorithm for detection of solvent-inaccessible atoms.
Journal of Computational Chemistry 20(6): 586-596 (1999) |
7 | EE | Jörg Weiser,
Peter S. Shenkin,
W. Clark Still:
Optimization of Gaussian surface calculations and extension to solvent-accessible surface areas.
Journal of Computational Chemistry 20(7): 688-703 (1999) |
1998 |
6 | EE | Hanoch Senderowitz,
W. Clark Still:
Sampling potential energy surface of glycyl glycine peptide: Comparison of Metropolis Monte Carlo and stochastic dynamics.
Journal of Computational Chemistry 19(11): 1294-1299 (1998) |
5 | EE | Hanoch Senderowitz,
W. Clark Still:
MC(JBW): Simple but smart Monte Carlo algorithm for free energy simulations of multiconformational molecules.
Journal of Computational Chemistry 19(15): 1736-1745 (1998) |
4 | EE | M. Rami Reddy,
Mark D. Erion,
Atul Agarwal,
Vellarkad N. Viswanadhan,
D. Quentin McDonald,
W. Clark Still:
Solvation free energies calculated using the GB/SA model: Sensitivity of results on charge sets, protocols, and force fields.
Journal of Computational Chemistry 19(7): 769-780 (1998) |
3 | EE | Jörg Weiser,
Armin A. Weiser,
Peter S. Shenkin,
W. Clark Still:
Neighbor-list reduction: Optimization for computation of molecular van der Waals and solvent-accessible surface areas.
Journal of Computational Chemistry 19(7): 797-808 (1998) |
2 | EE | Jörg Weiser,
Armin A. Weiser,
Peter S. Shenkin,
W. Clark Still:
Neighbor-list reduction: Optimization for computation of molecular van der Waals and solvent-accessible surface areas.
Journal of Computational Chemistry 19(9): 1110 (1998) |
1994 |
1 | | Frank Guarnieri,
W. Clark Still:
A Rapidly Convergent Simulation Method: Mixed Monte Carlo/Stochastic Dynamics.
Journal of Computational Chemistry 15(11): 1302-1310 (1994) |