Peter S. Shenkin - researchr alias

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Viewing Publication 1 - 7 from 7

2002

Application of the frozen atom approximation to the GB/SA continuum model for solvation free energyOlgun Guvench, Jörg Weiser, Peter S. Shenkin, István Kolossváry, W. Clark Still. jcc, 23(2):214-221, 2002. [doi]

1999

Approximate atomic surfaces from linear combinations of pairwise overlaps (LCPO)Jörg Weiser, Peter S. Shenkin, W. Clark Still. jcc, 20(2):217-230, 1999. [doi]

Optimization of Gaussian surface calculations and extension to solvent-accessible surface areasJörg Weiser, Peter S. Shenkin, W. Clark Still. jcc, 20(7):688-703, 1999. [doi]

Fast, approximate algorithm for detection of solvent-inaccessible atomsJörg Weiser, Peter S. Shenkin, W. Clark Still. jcc, 20(6):586-596, 1999. [doi]

1998

Neighbor-list reduction: Optimization for computation of molecular van der Waals and solvent-accessible surface areasJörg Weiser, Armin A. Weiser, Peter S. Shenkin, W. Clark Still. jcc, 19(9):1110, 1998. [doi]

Neighbor-list reduction: Optimization for computation of molecular van der Waals and solvent-accessible surface areasJörg Weiser, Armin A. Weiser, Peter S. Shenkin, W. Clark Still. jcc, 19(7):797-808, 1998. [doi]

1994

Cluster Analysis of Molecular ConformationsPeter S. Shenkin, D. Quentin McDonald. jcc, 15(8):899-916, 1994.

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