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» A comparative theoretical study of dipeptide solvation in wa...
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123
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JCC
2006
56views more  JCC 2006»
15 years 3 days ago
A comparative theoretical study of dipeptide solvation in water
: Molecular dynamics studies have been performed on the zwitterionic form of the dipeptide glycine
Håkan W. Hugosson, Alessandro Laio, Patrick ...
130
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ISVD
2010
IEEE
14 years 10 months ago
Hydration Shells in Voronoi Tessellations
An interesting property of the Voronoi tessellation is studied in the context of its application to the analysis of hydration shells in computer simulation of solutions. Namely the...
V. P. Voloshin, Alexey V. Anikeenko, Nikolai N. Me...
85
Voted
ISVD
2007
IEEE
15 years 6 months ago
Decoy Discrimination Using Contact Potentials Based on Delaunay Tessellation of Hydrated Proteins
Three strategies are presented for developing a knowledge-based statistical contact potential from computationally hydrated proteins that may be useful in studies of protein foldi...
Gregory M. Reck, Iosif I. Vaisman