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Volumn , Issue , 2010, Pages 254-259

Hydration shells in Voronoi tessellations

Author keywords

Shell volume; Solvation shell; Topological neighbors; Voronoi tessellation

Indexed keywords

COMPUTER MODELS; HARD SPHERES; HYDRATION SHELL; MOLECULAR-DYNAMICS MODEL; POINT PATTERNS; POISSON POINT PROCESS; RSA SYSTEMS; SHELL VOLUME; SOLVATION SHELL; THEORETICAL RESULT; TOPOLOGICAL NEIGHBORS; VORONOI CELL; VORONOI TESSELLATIONS;

EID: 77955678054     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/ISVD.2010.20     Document Type: Conference Paper
Times cited : (7)

References (22)
  • 2
    • 37749039560 scopus 로고    scopus 로고
    • Pressure perturbation calorimetry, heat capacity and the role of water in protein stability and interactions
    • A. Cooper, D. Cameron, J. Jakus, G.W. Pettigrew, "Pressure perturbation calorimetry, heat capacity and the role of water in protein stability and interactions," Bioch. Soc. Transactions, vol.35, part 6, 1547-1549, 2007.
    • (2007) Bioch. Soc. Transactions , vol.35 , Issue.PART 6 , pp. 1547-1549
    • Cooper, A.1    Cameron, D.2    Jakus, J.3    Pettigrew, G.W.4
  • 3
    • 2942655388 scopus 로고    scopus 로고
    • Heat capacity effects associated with the hydrophobic hydration and interaction of simple solutes: A detailed structural and energetical analysis based on molecular dynamics simulations
    • D. Paschek, "Heat capacity effects associated with the hydrophobic hydration and interaction of simple solutes: A detailed structural and energetical analysis based on molecular dynamics simulations," J. Chem. Phys., vol.120, 10605-10617, 2004.
    • (2004) J. Chem. Phys. , vol.120 , pp. 10605-10617
    • Paschek, D.1
  • 4
    • 33646012000 scopus 로고    scopus 로고
    • A molecular dynamics of SNase and its hydration shell at high temperature and high pressure
    • N. Smolin, R. Winter, "A molecular dynamics of SNase and its hydration shell at high temperature and high pressure," Biochim. Biophys. Acta., vol.1764, 522-534, 2006.
    • (2006) Biochim. Biophys. Acta. , vol.1764 , pp. 522-534
    • Smolin, N.1    Winter, R.2
  • 5
    • 56849095483 scopus 로고    scopus 로고
    • Intrinsic thermal expansivity and hydrational properties of amyloid peptide Abeta42 in liquid water
    • I. Brovchenko, R. R. Burri, A. Krukau, A. Oleinikova, and R. Winter, "Intrinsic thermal expansivity and hydrational properties of amyloid peptide Abeta42 in liquid water," J Chem. Phys, vol.129, 195101, 2008.
    • (2008) J Chem. Phys , vol.129 , pp. 195101
    • Brovchenko, I.1    Burri, R.R.2    Krukau, A.3    Oleinikova, A.4    Winter, R.5
  • 8
    • 0022328790 scopus 로고
    • Calculation of molecular volumes and areas for structures of known geometry
    • F.M. Richards, "Calculation of Molecular Volumes and Areas for Structures of Known Geometry," Methods in Enzymology, vol.115, 440-464, 1985.
    • (1985) Methods in Enzymology , vol.115 , pp. 440-464
    • Richards, F.M.1
  • 9
    • 3542995141 scopus 로고
    • Voronoi polyhedra as a tool for studying solvation structure
    • E.E. David and C.W. David, "Voronoi Polyhedra as a Tool for Studying Solvation Structure," J. Chem. Phys., vol.76, 4611, 1982.
    • (1982) J. Chem. Phys. , vol.76 , pp. 4611
    • David, E.E.1    David, C.W.2
  • 10
    • 0000265412 scopus 로고    scopus 로고
    • Water exchange around Li+ and Na+ in LiCl(aq) and NaCl(aq) from MD simulations
    • K. Hermansson and M. Wojcik, "Water exchange around Li+ and Na+ in LiCl(aq) and NaCl(aq) from MD Simulations," J. Phys. Chem. B, vol.102, 6089-6097, 1998.
    • (1998) J. Phys. Chem. B , vol.102 , pp. 6089-6097
    • Hermansson, K.1    Wojcik, M.2
  • 11
    • 84962376833 scopus 로고    scopus 로고
    • Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation
    • P.F.B. Goncalvesa and H. Stassenb, "Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation," J. Chem. Phys., vol.123, 214109, 2005.
    • (2005) J. Chem. Phys. , vol.123 , pp. 214109
    • Goncalvesa, P.F.B.1    Stassenb, H.2
  • 12
    • 68049128318 scopus 로고    scopus 로고
    • Shelling the Voronoi interface of protein-protein complexes predicts residue activity and conservation
    • B.Bouvier, R. Grunberg, M. Nilges, F. Cazals, "Shelling the Voronoi interface of protein-protein complexes predicts residue activity and conservation," Proteins: Structure, Function, and Bioinformatics, vol.76(3), 677-692, 2008.
    • (2008) Proteins: Structure, Function, and Bioinformatics , vol.76 , Issue.3 , pp. 677-692
    • Bouvier, B.1    Grunberg, R.2    Nilges, M.3    Cazals, F.4
  • 13
    • 18744414520 scopus 로고    scopus 로고
    • Nonpolar solutes enhance water structure within hydration shells while reducing interactions between them
    • T.M. Raschke, M. Levitt, "Nonpolar solutes enhance water structure within hydration shells while reducing interactions between them," PNAS, vol.102 (19), 6777-6782, 2005.
    • (2005) PNAS , vol.102 , Issue.19 , pp. 6777-6782
    • Raschke, T.M.1    Levitt, M.2
  • 14
    • 33751158016 scopus 로고
    • Distance dependence of water structure around model solutes
    • I. Vaisman, J F. K. Brown, and A. Tropsha, "Distance Dependence of Water Structure around Model Solutes," J. Phys. Chem. vol.98, 5559-5564, 1994.
    • (1994) J. Phys. Chem. , vol.98 , pp. 5559-5564
    • Vaisman, I.1    Brown, J.F.K.2    Tropsha, A.3
  • 15
    • 0014893650 scopus 로고
    • The arrangement of grains in a polycrystal
    • D.A. Aboav, "The arrangement of grains in a polycrystal," Metallography, vol.3, 383-390, 1970.
    • (1970) Metallography , vol.3 , pp. 383-390
    • Aboav, D.A.1
  • 16
    • 84928662673 scopus 로고
    • Soap, cells and statistics - Random patterns in two dimensions
    • D. Weaire and N. Rivier, "Soap, cells and statistics - random patterns in two dimensions," Contemp. Phys., vol.25, 59-95, 1984.
    • (1984) Contemp. Phys. , vol.25 , pp. 59-95
    • Weaire, D.1    Rivier, N.2
  • 17
    • 0001257254 scopus 로고    scopus 로고
    • Statistical properties and shell analysis in random cellular structures
    • T. Aste, K. Y. Szeto, and W. Y. Tam, "Statistical properties and shell analysis in random cellular structures," Physical Review E, vol.54 (5), 5482-5492, 1996.
    • (1996) Physical Review e , vol.54 , Issue.5 , pp. 5482-5492
    • Aste, T.1    Szeto, K.Y.2    Tam, W.Y.3
  • 18
    • 4243447756 scopus 로고
    • Second-order quantities for random tessellations of Rd
    • V. Weiss, "Second-order quantities for random tessellations of Rd," Stochastics and Stochastic Reports, vol.55, 195-205, 1995.
    • (1995) Stochastics and Stochastic Reports , vol.55 , pp. 195-205
    • Weiss, V.1
  • 21
    • 12044256185 scopus 로고
    • Random and cooperative absorption
    • J.W. Evans, "Random and cooperative absorption," Rev. Modern Phys., vol.65, 1281-1329 1993.
    • (1993) Rev. Modern Phys. , vol.65 , pp. 1281-1329
    • Evans, J.W.1
  • 22
    • 77955681937 scopus 로고    scopus 로고
    • Effect of temperature on the structural and hydrational properties of human islet amyloid polypeptide in water
    • M. A. Andrews, I. Brovchenko, R. Winter, "Effect of Temperature on the Structural and Hydrational Properties of Human Islet Amyloid Polypeptide in Water," Proceedings of the NIC Workshop 2008, NIC Series, Vol.40, 153-156, 2008.
    • (2008) Proceedings of the NIC Workshop 2008, NIC Series , vol.40 , pp. 153-156
    • Andrews, M.A.1    Brovchenko, I.2    Winter, R.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.