Modern Methods for Theoretical Physical Chemistry of Biopolymers
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The effects of bridge motion on electron transfer reactions mediated by tunneling

Modern Methods for Theoretical Physical Chemistry of Biopolymers ◽

10.1016/b978-044452220-7/50082-4 ◽

2006 ◽

pp. 357-382 ◽

Author(s):

Spiros S. Skourtis ◽

Jianping Lin ◽

David N. Beratan

Keyword(s):

Electron Transfer ◽

Transfer Reactions ◽

Electron Transfer Reactions

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Electronic structure of DNA derivatives and mimics by density functional theory

Modern Methods for Theoretical Physical Chemistry of Biopolymers ◽

10.1016/b978-044452220-7/50089-7 ◽

2006 ◽

pp. 485-507 ◽

Author(s):

Rosa Di Felice ◽

Arrigo Calzolari

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Functional Theory

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High throughput in-silico screening of large ligand databases for rational drug design

Modern Methods for Theoretical Physical Chemistry of Biopolymers ◽

10.1016/b978-044452220-7/50073-3 ◽

2006 ◽

pp. 179-189

Author(s):

H. Merlitz ◽

B. Fischer ◽

W. Wenzel

Keyword(s):

Drug Design ◽

High Throughput ◽

In Silico ◽

Rational Drug Design ◽

In Silico Screening ◽

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Monte Carlo method: some applications to problems in protein science

Modern Methods for Theoretical Physical Chemistry of Biopolymers ◽

10.1016/b978-044452220-7/50078-2 ◽

2006 ◽

pp. 267-305

Author(s):

Petras J. Kundrotas

Keyword(s):

Monte Carlo ◽

Monte Carlo Method

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Enzymatic recognition of radiation-produced oxidative DNA lesion. Molecular dynamics approach

Modern Methods for Theoretical Physical Chemistry of Biopolymers ◽

10.1016/b978-044452220-7/50074-5 ◽

2006 ◽

pp. 191-210 ◽

Author(s):

Miroslav Pinak

Keyword(s):

Molecular Dynamics ◽

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Solvent effects on biomolecular dynamics simulations: A comparison between TIP3P, SPC and SPC/E water models acting on the Glucocorticoid receptor DNA-binding domain

Modern Methods for Theoretical Physical Chemistry of Biopolymers ◽

10.1016/b978-044452220-7/50070-8 ◽

2006 ◽

pp. 123-135

Author(s):

Johan Bredenberg ◽

Pekka Mark ◽

Lennart Nilsson

Keyword(s):

Dna Binding ◽

Glucocorticoid Receptor ◽

Solvent Effects ◽

Binding Domain ◽

Dna Binding Domain ◽

Biomolecular Dynamics ◽

Water Models ◽

Dynamics Simulations

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Quantum chemical modeling of charge transfer in DNA

Modern Methods for Theoretical Physical Chemistry of Biopolymers ◽

10.1016/b978-044452220-7/50069-1 ◽

2006 ◽

pp. 99-119

Author(s):

Alexander A. Voityuk

Keyword(s):

Charge Transfer ◽

Quantum Chemical ◽

Quantum Chemical Modeling ◽

Chemical Modeling ◽

Charge Transfer In Dna

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Embedding method for conductance studies of large molecules

Modern Methods for Theoretical Physical Chemistry of Biopolymers ◽

10.1016/b978-044452220-7/50090-3 ◽

2006 ◽

pp. 509-533

Author(s):

Owen R. Davies ◽

John E. Inglesfield

Keyword(s):

Embedding Method ◽

Large Molecules

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Atomistic models of biological charge transfer

Modern Methods for Theoretical Physical Chemistry of Biopolymers ◽

10.1016/b978-044452220-7/50087-3 ◽

2006 ◽

pp. 451-459

Author(s):

Thorsten Koslowski ◽

Tobias Cramer ◽

Nadine Utz

Keyword(s):

Charge Transfer ◽

Atomistic Models

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Subject Index

Modern Methods for Theoretical Physical Chemistry of Biopolymers ◽

10.1016/b978-044452220-7/50092-7 ◽

2006 ◽

pp. 547-550

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