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020 a| 9780444522207 (alk. paper);

020 a| 0444522204 (alk. paper);

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042 a| nlmcopyc;

044 9| Netherlands;

049 a| EREEa| NEHH;

050 4 a| QP801.B69b| M64 2006;

060 00 a| 2008 G-040;

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245 00 a| Modern methods for theoretical physical chemistry of biopolymersh| [electronic resource] /c| editors, Evgeni B. Starikov, James P. Lewis, Shigenori Tanaka.;

250 a| 1st ed.;

260 a| Amsterdam ;a| Boston :b| Elsevier,;

300 a| 604 p., [21] p. of plates :b| ill. (some col.) ;c| 17 cm.;

504 a| Includes bibliographical references and index.;

505 0 a| Theoretical development of the fragment molecular orbital (FMO) method / Dmitri G. Fedorov and Kazuo Kitaura -- Developments and applications of ABINIT-MP software based on the fragment molecular orbital method / Tatsuya Nakano ... [et al.] -- Combined DFT and electrostatic calculations of pKas in proteins : study of cytochrome c oxidase / Dragan M. Popovic, Jason Quenneville and Alexei A. Stuchebrukhov -- Watson-Crick hydrogen bonds : nature and role in DNA replication / Célia Fonseca Guerra and F. Matthias Bickelhaupt -- Quantum chemical modeling of charge transfer in DNA / Alexander A. Voityuk -- Solvent effects on biomolecular dynamics simulations : a comparison between TIP3P, SPC and SPC/E water models acting on the Glucocorticoid receptor DNA-binding domain / Johan Bredenberg, Pekka Mark, and Lennart Nilsson -- Computer simulations of DNA stretching / Raimo A. Lohikoski, Martin Dahlberg, and Aatto Laaksonen -- On the art of computing the IR spectra of molecules in the condensed phase / Matthias Schmitz and Paul Tavan -- High throughput in-silico screening of large ligand databases for rational drug design / H. Merlitz, B. Fischer and W. Wenzel -- Enzymatic recognition of radiation-produced oxidative DNA lesion : molecular dynamics approach / Miroslav Pinak -- Nucleation of polyglutamine amyloid fibres modelling using molecular dynamics / James Elliott ... [et al.] -- Drug discovery using grid technology / Hitoshi Goto, Sigeaki Obata ... [et al.] -- Thermodynamics and kinetic analysis of F0F1-ATPase / Yi Qin Gao, Wei Yang, and Martin Karplus --;

505 0 a| Monte Carlo method : Some applications to problems in protein science / Petras J. Kundrotas -- Protein structure generation and elucidation : applications of automated histogram filtering cluster analysis -- Heather L. Gordon and Stuart M. Rothstein -- All-atom protein folding with stochastic optimization methods / A. Schug, A. Verma, K.H. Lee, and W. Wenzel -- Simple models for nonlinear states of double-helix DNA / Raimo A. Lohikoski and Aatto Laaksonen -- The effects of bridge motion on electron transfer reactions mediated by tunneling / Spiros S. Skourtis, Jianping Lin, and David N. Beratan -- Modelling molecular conduction in DNA wires : charge transfer theories and dissipative quantum transport / Ralf Bulla, Rafael Gutierrez, and Gianaurelio Cuniberti -- Electronic structure theory of DNA : from semi-empirical theory of the [pi]-stack to ab initio calculations of the optical conductivity / Robert G. Endres ... [et al.] -- Electronic transport and localization in short and long DNA / H. Wang, R. Marsh, J.P. Lewis, and R.A. Römer -- Polaronic charge transport mechanism in DNA / D. Hennig and J.F.R. Archilla -- Atomistic models of biological charge transfer / Thorsten Koslowski, Tobias Cramer and Nadine Utz -- Nonlinear models in DNA conductivity / Victor D. Lakhno -- Electronic structure of DNA derivatives and mimics by density functional theory / Rosa Di Felice and Arrigo Calzolari -- Embedding method for conductance studies of large molecules / Owen R. Davies and John E. Inglesfield -- Ballistic conductance for all-atom models of native and chemically modified DNA : a review of a Kubo-formula-based approach / Ewgeni B. Starikov, Shigenori Tanaka, Noriyuki Kurita, Yasuo Sengoku, Takayuki Natsume, Aina Quintilla and Wolfgang Wenzel.;

506 a| Available only to authorized users.;

538 a| Mode of access: World Wide Web;

650 12 a| Biopolymers=| ^A1012774;

650 22 a| Chemistry, Physicalx| methods=| ^A919005;

655 0 a| Electronic books.=| ^A491897;

700 1 a| Starikov, Evgeni B.=| ^A709677;

700 1 a| Lewis, J. P.=| ^A709678;

700 1 a| Tanaka, Shigenori.=| ^A709679;

856 40 z| Full text available from eBook - Chemistry pre-2007u| https://go.openathens.net/redirector/ecu.edu?url=https%3A%2F%2Fwww.sciencedirect.com%2Fscience%2Fbook%2F9780444522207;

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Modern methods for theoretical physical chemistry of biopolymers / editors, Evgeni B. Starikov, James P. Lewis, Shigenori Tanaka.

Other author	Starikov, Evgeni B.
Other author	Lewis, J. P.
Other author	Tanaka, Shigenori.
Format	Electronic
Edition	1st ed.
Publication Info	Amsterdam ; Boston : Elsevier,
Description	604 p., [21] p. of plates : ill. (some col.) ; 17 cm.
Supplemental Content	Full text available from eBook - Chemistry pre-2007
Subjects	Biopolymers Chemistry, Physical--methods.

Contents	Theoretical development of the fragment molecular orbital (FMO) method / Dmitri G. Fedorov and Kazuo Kitaura -- Developments and applications of ABINIT-MP software based on the fragment molecular orbital method / Tatsuya Nakano ... [et al.] -- Combined DFT and electrostatic calculations of pKas in proteins : study of cytochrome c oxidase / Dragan M. Popovic, Jason Quenneville and Alexei A. Stuchebrukhov -- Watson-Crick hydrogen bonds : nature and role in DNA replication / Célia Fonseca Guerra and F. Matthias Bickelhaupt -- Quantum chemical modeling of charge transfer in DNA / Alexander A. Voityuk -- Solvent effects on biomolecular dynamics simulations : a comparison between TIP3P, SPC and SPC/E water models acting on the Glucocorticoid receptor DNA-binding domain / Johan Bredenberg, Pekka Mark, and Lennart Nilsson -- Computer simulations of DNA stretching / Raimo A. Lohikoski, Martin Dahlberg, and Aatto Laaksonen -- On the art of computing the IR spectra of molecules in the condensed phase / Matthias Schmitz and Paul Tavan -- High throughput in-silico screening of large ligand databases for rational drug design / H. Merlitz, B. Fischer and W. Wenzel -- Enzymatic recognition of radiation-produced oxidative DNA lesion : molecular dynamics approach / Miroslav Pinak -- Nucleation of polyglutamine amyloid fibres modelling using molecular dynamics / James Elliott ... [et al.] -- Drug discovery using grid technology / Hitoshi Goto, Sigeaki Obata ... [et al.] -- Thermodynamics and kinetic analysis of F0F1-ATPase / Yi Qin Gao, Wei Yang, and Martin Karplus --
Contents	Monte Carlo method : Some applications to problems in protein science / Petras J. Kundrotas -- Protein structure generation and elucidation : applications of automated histogram filtering cluster analysis -- Heather L. Gordon and Stuart M. Rothstein -- All-atom protein folding with stochastic optimization methods / A. Schug, A. Verma, K.H. Lee, and W. Wenzel -- Simple models for nonlinear states of double-helix DNA / Raimo A. Lohikoski and Aatto Laaksonen -- The effects of bridge motion on electron transfer reactions mediated by tunneling / Spiros S. Skourtis, Jianping Lin, and David N. Beratan -- Modelling molecular conduction in DNA wires : charge transfer theories and dissipative quantum transport / Ralf Bulla, Rafael Gutierrez, and Gianaurelio Cuniberti -- Electronic structure theory of DNA : from semi-empirical theory of the [pi]-stack to ab initio calculations of the optical conductivity / Robert G. Endres ... [et al.] -- Electronic transport and localization in short and long DNA / H. Wang, R. Marsh, J.P. Lewis, and R.A. Römer -- Polaronic charge transport mechanism in DNA / D. Hennig and J.F.R. Archilla -- Atomistic models of biological charge transfer / Thorsten Koslowski, Tobias Cramer and Nadine Utz -- Nonlinear models in DNA conductivity / Victor D. Lakhno -- Electronic structure of DNA derivatives and mimics by density functional theory / Rosa Di Felice and Arrigo Calzolari -- Embedding method for conductance studies of large molecules / Owen R. Davies and John E. Inglesfield -- Ballistic conductance for all-atom models of native and chemically modified DNA : a review of a Kubo-formula-based approach / Ewgeni B. Starikov, Shigenori Tanaka, Noriyuki Kurita, Yasuo Sengoku, Takayuki Natsume, Aina Quintilla and Wolfgang Wenzel.
Bibliography note	Includes bibliographical references and index.
Access restriction	Available only to authorized users.
Technical details	Mode of access: World Wide Web
Genre/form	Electronic books.
ISBN	9780444522207 (alk. paper)
ISBN	0444522204 (alk. paper)

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Modern methods for theoretical physical chemistry of biopolymers / editors, Evgeni B. Starikov, James P. Lewis, Shigenori Tanaka.

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