rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Modern methods for theoretical physical chemistry of biopolymers
  name:
    name part: Starikov, Evgeni B.
  name:
    name part: Lewis, J. P.
  name:
    name part: Tanaka, Shigenori.
  name:
    name part: ScienceDirect (Online service)
  type of resource: text
  genre: bibliography
  genre: Electronic books.
  origin info:
    place:
      place term: ne
    place:
      place term: Amsterdam
    place:
      place term: Boston
    publisher: Elsevier
    date issued: 2006
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource (604 pages, 21 unnumbered pages of plates) : illustrations (some color)
  abstract: Modern Methods for Theoretical Physical Chemistry of Biopolymers provides an interesting selection of contributions from an international team of researchers in theoretical chemistry. This book is extremely useful for tackling the complicated scientific problems connected with biopolymers' physics and chemistry. The applications of both the classical molecular-mechanical and molecular-dynamical methods and the quantum chemical methods needed for bridging the gap to structural and dynamical properties dependent on electron dynamics are explained. Also included are ways to deal with complex problems when all three approaches need to be considered at the same time. The book gives a rich spectrum of applications: from theoretical considerations of how ATP is produced and used as energy currency in the living cell, to the effects of subtle solvent influence on properties of biopolymers and how structural changes in DNA during single-molecule manipulation may be interpreted. Presents modern successes and trends in theoretical physical chemistry/chemical physics of biopolymers Topics covered are of relevant importance to rapidly developing areas in science such as nanotechnology and molecular medicine Quality selection of contributions from renowned scientists in the field.
  table of 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, Yuji Mochizuki, Kaori Fukuzawa, Shinji Amari and Shigenori Tanaka -- 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, Evgeni B. Starikov, Jane Crawshaw, Peter Claiden, Lennart Nilsson and Alan Windle -- Drug discovery using grid technology / Hitoshi Goto, Sigeaki Obata, Toshiyuki Kamakura, Naofumi Nakayama, Mitsuhisa Sato, Yoshihiro Nakajima, Umpei Nagashima, Toshio Watanabe, Yuichi Inadomi, Masakatsu Ito, Takeshi Nishikawa, Tatsuya Nakano, Lennart Nilsson, Shigenori Tanaka, Kaori Fukuzawa, Yuichiro Inagaki, Michiaki Hamada and Hiroshi Chuman -- Thermodynamics and kinetic analysis of F₀F₁-ATPase / Yi Qin Gao, Wei Yang and Martin Karplus -- Monte Carlo method : Some application…
  note: editors, Evgeni B. Starikov, James P. Lewis, Shigenori Tanaka.
  note: Includes bibliographical references and index.
  note: English.
  subject:
    topic: Polymers
  subject:
    topic: Chemistry, Physical and theoretical
  subject:
    topic: Polymers
  subject:
    topic: Chemistry, Physical
  subject:
    topic: Polymères
  subject:
    topic: Chimie physique et théorique
  subject:
    topic: polymers
  subject:
    topic: physical chemistry
  subject:
    topic: SCIENCE
    topic: Life Sciences
    topic: Biochemistry
  subject:
    topic: Chemistry, Physical and theoretical
  subject:
    topic: Polymers
  classification: QP801.B69 M64 2006eb
  classification: 547/.7
  related item:
    title info:
      title: Modern methods for theoretical physical chemistry of biopolymers
    origin info:
      publisher: Amsterdam ; Boston : Elsevier, 2006
    identifier: (OCoLC)70841030
  identifier: 9780444522207
  identifier: 0444522204
  identifier: 0080461018
  identifier: 9780080461014
  identifier: 1280641886
  identifier: 9781280641886
  identifier: 9786610641888
  identifier: 6610641889
  identifier: 114705:114799 Elsevier Science & Technology
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: OPELS
    record creation date: 070806
    record change date: 20260326151822.6
    record identifier: in00005732987
    language of cataloging:
      language term: eng