Literature DB >> 628447

Computer simulation of the solvent structure around biological macromolecules.

A T Hagler, J Moult.   

Abstract

The structure and energetics of the solvent, both ordered and disordered, in a small peptide crystal and in the triclinic lysozyme crystal have been simulated using the Monte Carlo method. The results are in good agreement with the experimental data and provide insight into the role of solvent structure around biological macromolecules in solution.

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Year:  1978        PMID： 628447     DOI： 10.1038/272222a0

Source DB:  PubMed          Journal:  Nature        ISSN： 0028-0836            Impact factor:   49.962


  11 in total

1.  Analytical approximation to the accessible surface area of proteins.

Authors:  S J Wodak; J Janin
Journal:  Proc Natl Acad Sci U S A       Date:  1980-04       Impact factor: 11.205

2.  Molecular dynamics simulations of six different fully hydrated monomeric conformers of Escherichia coli re-lipopolysaccharide in the presence and absence of Ca2+.

Authors:  S Obst; M Kastowsky; H Bradaczek
Journal:  Biophys J       Date:  1997-03       Impact factor: 4.033

Review 3.  Molecular modelling in design of crop protection chemicals.

Authors:  B Odell
Journal:  J Comput Aided Mol Des       Date:  1988-10       Impact factor: 3.686

4.  Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril.

Authors:  Crystal N Nguyen; Tom Kurtzman Young; Michael K Gilson
Journal:  J Chem Phys       Date:  2012-07-28       Impact factor: 3.488

5.  Reference phase analysis of free and bound intracellular solutes. II. Isothermal and isotopic studies of cytoplasmic sodium, potassium, and water.

Authors:  S B Horowitz; P L Paine
Journal:  Biophys J       Date:  1979-01       Impact factor: 4.033

6.  A global model of the protein-solvent interface.

Authors:  V Lounnas; B M Pettitt; G N Phillips
Journal:  Biophys J       Date:  1994-03       Impact factor: 4.033

7.  A neutral theory of biogenesis.

Authors:  A Ferracin
Journal:  Orig Life       Date:  1981-12

8.  Molecular mechanical studies of proflavine and acridine orange intercalation.

Authors:  A Dearing; P Weiner; P A Kollman
Journal:  Nucleic Acids Res       Date:  1981-03-25       Impact factor: 16.971

9.  Electrostatic control of midpoint potentials in the cytochrome subunit of the Rhodopseudomonas viridis reaction center.

Authors:  M R Gunner; B Honig
Journal:  Proc Natl Acad Sci U S A       Date:  1991-10-15       Impact factor: 11.205

10.  Structural analysis of the N- and C-termini in a peptide with consensus sequence.

Authors:  Y Gong; H X Zhou; M Guo; N R Kallenbach
Journal:  Protein Sci       Date:  1995-08       Impact factor: 6.725
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