Modeling electrostatic effects in proteins.

Modeling electrostatic effects in proteins. Research Abstract Details 

Research Abstract Table of Contents

Jump to the:

Modeling electrostatic effects in proteins. Abstract Text:

Arieh Warshel,Pankaz K Sharma,Mitsunori Kato,William W Parson,

Electrostatic energies provide what is perhaps the most effective tool for structure-function correlation of biological molecules. This review considers the current state of simulations of electrostatic energies in macromolecules as well as the early developments of this field. We focus on the relationship between microscopic and macroscopic models, considering the convergence problems of the microscopic models and the fact that the dielectric 'constants' in semimacroscopic models depend on the definition and the specific treatment. The advances and the challenges in the field are illustrated considering a wide range of functional properties including pK(a)'s, redox potentials, ion and proton channels, enzyme catalysis, ligand binding and protein stability. We conclude by pointing out that, despite the current problems and the significant misunderstandings in the field, there is an overall progress that should lead eventually to quantitative descriptions of electrostatic effects in proteins and thus to quantitative descriptions of the function of proteins.

Modeling electrostatic effects in proteins. Publishing Authors By Initials

A Warshel,PK Sharma,M Kato,WW Parson,

For similar proteins research abstracts see: proteins research

PUBMED ID PMID:

MEDLINE DATE:

Modeling electrostatic effects in proteins. Journal Published:

PUBLICATION TYPE: Review

Journal: Biochimica et biophysica acta

VOLUME: 1764

Page Numbers: 1647-76

Journal Abbreviation: Biochim. Biophys. Acta

ISSN: 0006-3002

DAY: 25

MONTH: 08

YEAR: 2006

Modeling electrostatic effects in proteins. Information

Number of References: 347

LANGUAGE: eng

NlmUniqueID: 217513

Modeling electrostatic effects in proteins. Keywords Mesh Terms:

KEYWORDS: Proteins

MESH TERMS: chemistry

Chemical & Substance for Abstract: Modeling electrostatic effects in proteins. Information

Substance Name: Proteins

Registry Number: 0

Grant and Affiliation Information for Modeling electrostatic effects in proteins.

AFFILIATION: University of Southern California, 418 SGM Building, 3620 McClintock Avenue, Los Angeles, CA 90089-1062, USA. warshel@usc.edu

Country: Netherlands

AGENCY: United States NIGMS

GRANT: R37GM21422

ACRONYM: GM

MEDLINETA: Biochim Biophys Acta

REFSOURCE:

DATABASENAME:

ACCESSION NUMBER:

Number Hits: 0

Modeling electrostatic effects in proteins Related Publications

• 'Mitominis': multiplex PCR analysis of reduced size amplicons for compound sequence analysis of the entire mtDNA control region in highly degraded samples.
• Crystal structures of human 108V and 108M catechol O-methyltransferase.
• Dynamic remodelling of synapses can occur in the absence of the parent cell body.
• Entropy production and the Second Law in photosynthesis.
• Forensic DNA fingerprinting by liquid chromatography-electrospray ionization mass spectrometry.
• Increased forensic efficiency of DNA fingerprints through simultaneous resolution of length and nucleotide variability by high-performance mass spectrometry.
• Migration rates and genetic structure of two Hungarian ethnic groups in Transylvania, Romania.
• Modeling electrostatic effects in proteins.
• Molecular characterization of the canine mitochondrial DNA control region for forensic applications.
• Rapid loss of motor nerve terminals following hypoxia-reperfusion injury occurs via mechanisms distinct from classic Wallerian degeneration.
• Skin sparing nipple reconstruction with polytetrafluoroethylene implant.
• Stem cell biotech: seeking a piece of the action.
• The V108M mutation decreases the structural stability of catechol O-methyltransferase.
• The matter-radiation cycle in the cosmos (and the second law) the sun's equilibrium.
• Timing and deciphering mitochondrial DNA macro-haplogroup R0 variability in Central Europe and Middle East.
• [Not Available.]