عنوان

Modelling molecular structure and reactivity in biological systems /

(Number (ISBN

1615833668

(Number (ISBN

1847555373

(Number (ISBN

9781615833665

(Number (ISBN

9781847555373

Erroneous ISBN

0854046682

Erroneous ISBN

9780854046683

Number

b743885

Title Proper

Modelling molecular structure and reactivity in biological systems /

General Material Designation

[Book]

First Statement of Responsibility

edited by Kevin J. Naidoo [and others].

Place of Publication, Distribution, etc.

Cambridge :

Name of Publisher, Distributor, etc.

Royal Society of Chemistry,

Date of Publication, Distribution, etc.

©2006.

Specific Material Designation and Extent of Item

1 online resource (ix, 293 pages) :

Other Physical Details

illustrations (some color)

Series Title

Special publication ;

Volume Designation

no. 304

Text of Note

Includes bibliographical references and index.

Text of Note

COMPUTATIONAL CHEMISTRY IN DRUG DISCOVERY; IMPROVING CATALYTIC ANTIBODIES BY MEANS OF COMPUTATIONAL TECHNIQUES; THE "THEORETICAL" CHEMISTRY OF ALZHEIMER'S DISEASE: THE RADICAL MODEL; MECHANISTIC MODELING IN DRUG DISCOVERY: MMP-3 AND THE HERG CHANNEL AS EXAMPLES; Subject Index

Text of Note

Part One: Molecular Conformation and Electronic Structure of Biomolecules; ELECTOWEAK QUANTUM CHEMISTRY AND THE DYNAMICS OF PARITY VIOLATION IN CHIRAL MOLECULES; CHARACTERIZATION OF PROTEIN FOLDING/UNFOLDING AT ATOMIC RESOLUTION; THE ROLE OF ATTRACTIVE FORCES ON THE DEWETTING OF LARGE HYDROPHOTIC SOLUTES; STRUCTURE AND MECHANISM OF THE ATPASE VCP/P97: COMPUTATIONAL CHALLENGES FOR STRUCTURE DETERMINATION AT LOW RESOLUTION; THEORETICAL ANALYSIS OF MECHANOCHEMICAL COUPLING IN THE BIOMOLECULAR MOTOR MYOSIN; MOLECULAR DYNAMICS AND NEUTRON DIFFRACTION STUDIES OF THE STRUCTURING OF WATER BY CARBOHYDRATES AND OTHER SOLUTES; Part Two: Chemical Reactivity in Biological Surroundings; FROM PRION PROTEIN TO ANTICANCER DRUGS: QM/MM CAR-PARRINELLO SIMULATIONS OF BIOLOGICAL SYSTEMS WITH TRANSITION METAL IONS; SIMULATIONS OF ENZYME REACTION MECHANISMS IN ACTIVE SITES: ACCOUNTING FOR AN ENVIRONMENT WHICH IS MUCH MORE THAN A SOLVENT PERTURBATION; THEORETICAL STUDIES OF PHOTODYNAMIC DRUGS AND

Text of Note

PHOTOTOXIC REACTIONS; ACID/BASE PROPERTIES OF RADICALS INVOLVED IN ENZYME-MEDIATED 1, 2-MIGRATION REACTIONS; DEVELOPMENT OF A HETEROGENEOUS DIELECTRIC GENERALIZED BORN MODEL FOR THE IMPLICIT MODELING OF MEMBRANE ENVIRONMENTS; ASSESSMENT AND TUNING OF A POISSON BOLTZMANN PROGRAM THAT UTILIZES THE SPECIALIZED COMPUTER CHIP MD-GRAPE-2 AND ANALYSIS OF THE EFFECT OF COUNTER IONS; INTRINSIC ISOTOPE EFFECTS- THE HOLY GRAAL OF STUDIES OF ENZYME-CATALYZED REACTIONS; SUICIDE INACTIVATION IN THE COENZYME B12-DEPENDENT ENZYME DIOL DEHYDRATASE; SIMULATIONS OF PHOSPORYL TRANSFER REACTONS USING MULTI-SCALE QUANTUM MODELS; SELECTIVITY AND AFFINITY OF MATRIX METALLOPROTEINASE INHIBITORS; INVESTIGATIONS OF CATALYTIC REACTION MECHANISMS OF BIOLOGICAL MACROMOLECULES BY USING FIRST PRINCIPLES AND COMBINED CLASSICAL MOLECULAR DYNAMICS METHODS; Part Three: Toward Drug Discovery; CHANGING PARADIGMS IN DRUG DISCOVERY; A TALE OF TWO STATES: REACTIVITY OF CYTOCROME P450 ENZYMES; THE ROLE AND LIMITATIONS OF

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Text of Note

This product is not available separately, it is only sold as part of a set. There are 750 products in the set and these are all sold as one entity.

Source for Acquisition/Subscription Address

Knovel Corporation

Title

Modelling molecular structure and reactivity in biological systems.

International Standard Book Number

9780854046683

Biological systems, Congresses.

Chemistry, Physical and theoretical, Congresses.

Molecular structure-- Computer simulation, Congresses.

Molecular structure, Congresses.

Reactivity (Chemistry)-- Computer simulation, Congresses.

Reactivity (Chemistry), Congresses.

Analytical, Diagnostic and Therapeutic Techniques and Equipment

Biochemical Phenomena.

Biological Science Disciplines.

Biology.

Chemical Phenomena.

Chemistry, Pharmaceutical.

Chemistry.

Computational Biology.

Disciplines and Occupations

Drug Design.

Drug Discovery.

Investigative Techniques

Molecular Structure.

Natural Science Disciplines.

Pharmacology.

Phenomena and Processes

Biological systems.

Chemistry, Physical and theoretical.

Chemistry.

Chemistry.

Molecular structure-- Computer simulation.

Molecular structure.

Physical & Theoretical Chemistry.

Physical Sciences & Mathematics.

Reactivity (Chemistry)

SCIENCE-- Chemistry-- Computational & Molecular Modeling.

Science.

PN

SCI

SCI-- 013070

Number

Edition

Class number

Book number

Class number

Class number

Book Number

Naidoo, Kevin J.

World Congress of Theoretically Oriented Chemists(7th :2005 :, Cape Town, South Africa)

Royal Society of Chemistry (Great Britain)

World Association of Theoretical and Computational Chemists.

Date of Transaction

20201204042119.0

Cataloguing Rules (Descriptive Conventions))

pn

Electronic name

[Book]

Y