Modelling molecular structure and reactivity in biological systems
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.
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| Corporate Authors: | , , |
|---|---|
| Other Authors: | |
| Format: | eBook |
| Language: | English |
| Published: |
Cambridge :
Royal Society of Chemistry,
©2006.
|
| Series: | Special publication (Royal Society of Chemistry (Great Britain)) ;
no. 304. |
| Subjects: | |
| ISBN: | 9781615833665 1615833668 9781847555373 1847555373 0854046682 9780854046683 |
| Physical Description: | 1 online resource (ix, 293 pages) : illustrations (some color) |
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Table of contents
| LEADER | 07200cam a2200673 a 4500 | ||
|---|---|---|---|
| 001 | kn-ocn643053650 | ||
| 003 | OCoLC | ||
| 005 | 20240717213016.0 | ||
| 006 | m o d | ||
| 007 | cr cn||||||||| | ||
| 008 | 100623s2006 enka ob 101 0 eng d | ||
| 040 | |a KNOVL |b eng |e pn |c KNOVL |d CEF |d OCLCQ |d OKU |d UKRSC |d U5D |d N$T |d KNOVL |d NOC |d KNOVL |d NLGGC |d OCLCO |d KNOVL |d YDXCP |d DEBSZ |d OCLCO |d OCLCQ |d OCLCO |d ZCU |d OCLCQ |d OCLCO |d OCLCQ |d OCLCF |d OCLCO |d AGLDB |d TOA |d BUF |d MERER |d OCL |d OCLCQ |d VNS |d OCLCO |d OCLCQ |d VTS |d RRP |d OCLCQ |d OCLCO |d NLE |d OCLCO |d AU@ |d OCLCO |d UKMGB |d OCLCO |d WYU |d OCLCQ |d REC |d OCLCQ |d STF |d OCLCO |d LEAUB |d OCLCQ |d OCLCO |d M8D |d OCLCO |d OCLCQ |d OCLCO |d OCL |d ERF |d OCLCQ |d OCLCA |d ZHM |d OCLCA |d AUD |d MM9 |d LUN |d OCLCQ |d OCLCO |d INARC |d UIU |d OCLCO |d OCLCQ |d OCL |d OCLCO |d OCLCL |d OCLCQ | ||
| 020 | |a 9781615833665 |q (electronic bk.) | ||
| 020 | |a 1615833668 |q (electronic bk.) | ||
| 020 | |a 9781847555373 |q (electronic bk.) | ||
| 020 | |a 1847555373 |q (electronic bk.) | ||
| 020 | |z 0854046682 |q (hbk.) | ||
| 020 | |z 9780854046683 | ||
| 020 | |a 0854046682 | ||
| 020 | |a 9780854046683 | ||
| 024 | 3 | |a 9780854046683 | |
| 035 | |a (OCoLC)643053650 |z (OCoLC)228437297 |z (OCoLC)1027367989 |z (OCoLC)1058065263 |z (OCoLC)1065702163 |z (OCoLC)1086505371 |z (OCoLC)1110927724 |z (OCoLC)1157027980 |z (OCoLC)1170058497 |z (OCoLC)1173430628 |z (OCoLC)1288492179 | ||
| 111 | 2 | |a World Congress of Theoretically Oriented Chemists |n (7th : |d 2005 : |c Cape Town, South Africa) | |
| 245 | 1 | 0 | |a Modelling molecular structure and reactivity in biological systems / |c edited by Kevin J. Naidoo [and others]. |
| 260 | |a Cambridge : |b Royal Society of Chemistry, |c ©2006. | ||
| 300 | |a 1 online resource (ix, 293 pages) : |b illustrations (some color) | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a Special publication ; |v no. 304 | |
| 504 | |a Includes bibliographical references and index. | ||
| 506 | |a Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty | ||
| 520 | |a 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. |b Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these methods to study the structure, dynamics and reactivity of biomacromolecules in solution, computational chemistry is becoming an essential tool, complementing the more traditional methods for structure and reactivity determination. Modelling Molecular Structure and Reactivity in Biological Systems covers three main areas in computational chemistry; structure (conformational and electronic), reactivity and design. Initial sections focus on the link between computational and spectroscopic methods in the investigation of electronic structure. The use of Free Energy calculations for the elucidation of reaction mechanisms in enzymatic systems is also discussed. Subsequent sections focus on drug design and the use of database methods to determine ADME (absorption, distribution, metabolism, excretion) properties. This book provides a complete reference on state of the art computational chemistry practised on biological systems. It is ideal for researchers in the field of computational chemistry interested in its application to biological systems. | ||
| 505 | 0 | |a 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 | |
| 505 | 0 | |a 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 | |
| 505 | 0 | |a 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 | |
| 590 | |a Knovel |b Knovel (All titles) | ||
| 650 | 0 | |a Chemistry, Physical and theoretical |v Congresses. | |
| 650 | 0 | |a Molecular structure |v Congresses. | |
| 650 | 0 | |a Molecular structure |x Computer simulation |v Congresses. | |
| 650 | 0 | |a Reactivity (Chemistry) |v Congresses. | |
| 650 | 0 | |a Reactivity (Chemistry) |x Computer simulation |v Congresses. | |
| 650 | 0 | |a Biological systems |v Congresses. | |
| 650 | 0 | |a Biology. | |
| 650 | 0 | |a Life sciences. | |
| 650 | 0 | |a Pharmaceutical chemistry. | |
| 650 | 0 | |a Physical sciences. | |
| 650 | 0 | |a Pharmacology. | |
| 650 | 0 | |a Drugs |x Design. | |
| 650 | 0 | |a Molecular structure. | |
| 650 | 0 | |a Chemistry. | |
| 655 | 7 | |a elektronické knihy |7 fd186907 |2 czenas | |
| 655 | 9 | |a electronic books |2 eczenas | |
| 700 | 1 | |a Naidoo, Kevin J. | |
| 710 | 2 | |a Royal Society of Chemistry (Great Britain) | |
| 710 | 2 | |a World Association of Theoretical and Computational Chemists. | |
| 776 | 0 | 8 | |i Print version: |a World Congress of Theoretically Oriented Chemists (7th : 2005 : Cape Town, South Africa). |t Modelling molecular structure and reactivity in biological systems. |d Cambridge : Royal Society of Chemistry, ©2006 |z 9780854046683 |w (DLC) 2007360596 |w (OCoLC)73952757 |
| 830 | 0 | |a Special publication (Royal Society of Chemistry (Great Britain)) ; |v no. 304. | |
| 856 | 4 | 0 | |u https://proxy.k.utb.cz/login?url=https://app.knovel.com/hotlink/toc/id:kpMMSRBS0I/modelling-molecular-structure?kpromoter=marc |y Full text |
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