عنوان

Computer Simulation of Biomolecular Systems :

(Number (ISBN

9048185289

(Number (ISBN

9401711208

(Number (ISBN

9789048185283

(Number (ISBN

9789401711203

Number

b592145

Title Proper

Computer Simulation of Biomolecular Systems :

General Material Designation

[Book]

Other Title Information

Theoretical and Experimental Applications

First Statement of Responsibility

edited by Wilfred F. Gunsteren, Paul K. Weiner, Anthony J. Wilkinson.

Place of Publication, Distribution, etc.

Dordrecht

Name of Publisher, Distributor, etc.

Springer Netherlands : Imprint : Springer

Date of Publication, Distribution, etc.

1997

Specific Material Designation and Extent of Item

(XXVI, 618 pages)

Series Title

Computer Simulations of Biomolecular Systems, 3.

Text of Note

This book is the third volume in this highly successful series. Since the first volume in 1989 and the second in 1993, many exciting developments have occurred in the development of simulation techniques and their application to key biological problems such as protein folding, protein structure prediction and structure-based design, and in how, by combining experimental and theoretical approaches, very large biological systems can be studied at the molecular level. This series attempts to capture that progress. Volume 3 includes contributions that highlight developments in methodology which enable longer and more realistic simulations (e.g. multiple time steps and variable reduction techniques), a study of force fields for proteins and new force field development, a novel approach to the description of molecular shape and the use of molecular shape descriptors, the study of condensed phase chemical reactions, the use of electrostatic techniques in the study of protonation, equilibria and flexible docking studies, structure refinement using experimental data (X-ray, NMR, neutron, infrared) and theoretical methods (solvation models, normal mode analysis, MD simulations, MC lattice dynamics, and knowledge-based potentials). There are several chapters that show progress in the development of methodologies for the study of folding processes, binding affinities, and the prediction of ligand-protein complexes. The chapters, contributed by experienced researchers, many of whom are leaders in their field of study, are organised to cover developments in: simulation methodology the treatment of electrostatics protein structure refinement the combined experimental and theoretical approaches to the study of very large biological systems applications and methodology involved in the study of protein folding applications and methodology associated with structure-based design.>

Chemistry.

Morphology (Animals)

Polymers.

Class number

Book number

edited by Wilfred F. Gunsteren, Paul K. Weiner, Anthony J. Wilkinson.

Anthony J Wilkinson

Paul K Weiner

Wilfred F Gunsteren

Electronic name

[Book]

Y