Literature DB >> 7761829

Classical electrostatics in biology and chemistry.

B Honig1, A Nicholls.   

Abstract

A major revival in the use of classical electrostatics as an approach to the study of charged and polar molecules in aqueous solution has been made possible through the development of fast numerical and computational methods to solve the Poisson-Boltzmann equation for solute molecules that have complex shapes and charge distributions. Graphical visualization of the calculated electrostatic potentials generated by proteins and nucleic acids has revealed insights into the role of electrostatic interactions in a wide range of biological phenomena. Classical electrostatics has also proved to be successful quantitative tool yielding accurate descriptions of electrical potentials, diffusion limited processes, pH-dependent properties of proteins, ionic strength-dependent phenomena, and the solvation free energies of organic molecules.

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Year:  1995        PMID: 7761829     DOI: 10.1126/science.7761829

Source DB:  PubMed          Journal:  Science        ISSN: 0036-8075            Impact factor:   47.728


  665 in total

1.  Molecular basis for pH sensitivity and proton transfer in green fluorescent protein: protonation and conformational substates from electrostatic calculations.

Authors:  C Scharnagl; R Raupp-Kossmann; S F Fischer
Journal:  Biophys J       Date:  1999-10       Impact factor: 4.033

2.  Statistical mechanical equilibrium theory of selective ion channels.

Authors:  B Roux
Journal:  Biophys J       Date:  1999-07       Impact factor: 4.033

3.  Implicit solvent model studies of the interactions of the influenza hemagglutinin fusion peptide with lipid bilayers.

Authors:  D Bechor; N Ben-Tal
Journal:  Biophys J       Date:  2001-02       Impact factor: 4.033

4.  Calculation of weak protein-protein interactions: the pH dependence of the second virial coefficient.

Authors:  A H Elcock; J A McCammon
Journal:  Biophys J       Date:  2001-02       Impact factor: 4.033

5.  Does a diol cyclic urea inhibitor of HIV-1 protease bind tighter than its corresponding alcohol form? A study by free energy perturbation and continuum electrostatics calculations.

Authors:  L Wang; Y Duan; P Stouten; G V De Lucca; R M Klabe; P A Kollman
Journal:  J Comput Aided Mol Des       Date:  2001-02       Impact factor: 3.686

6.  Tanford-Kirkwood electrostatics for protein modeling.

Authors:  J J Havranek; P B Harbury
Journal:  Proc Natl Acad Sci U S A       Date:  1999-09-28       Impact factor: 11.205

7.  Protonation of lysine residues inverts cation/anion selectivity in a model channel.

Authors:  V Borisenko; M S Sansom; G A Woolley
Journal:  Biophys J       Date:  2000-03       Impact factor: 4.033

8.  Unbinding-binding transition induced by molecular snaps in model membranes.

Authors:  N Taulier; C Nicot; M Waks; R S Hodges; R Ober; W Urbach
Journal:  Biophys J       Date:  2000-02       Impact factor: 4.033

9.  Automated docking and molecular dynamics simulations of nimesulide in the cyclooxygenase active site of human prostaglandin-endoperoxide synthase-2 (COX-2).

Authors:  R García-Nieto; C Pérez; F Gago
Journal:  J Comput Aided Mol Des       Date:  2000-02       Impact factor: 3.686

10.  Tests of continuum theories as models of ion channels. I. Poisson-Boltzmann theory versus Brownian dynamics.

Authors:  G Moy; B Corry; S Kuyucak; S H Chung
Journal:  Biophys J       Date:  2000-05       Impact factor: 4.033

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