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: Computational approaches for studying enzyme mechanism
    part number: Part B
  name:
    name part: Voth, Gregory A.
    role:
      role term: editor.
  name:
    name part: ScienceDirect (Online service)
  type of resource: text
  genre: bibliography
  genre: Electronic books.
  origin info:
    place:
      place term: mau
    date issued: 2016
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource
  abstract: Computational Approaches for Studying Enzyme Mechanism, Part B is the first of two volumes in the Methods in Enzymology series that focuses on computational approaches for studying enzyme mechanism. The serial achieves the critically acclaimed gold standard of laboratory practices and remains one of the most highly respected publications in the molecular biosciences. Each volume is eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. Now with over 550 volumes, the series remains a prominent and essential publication for researchers in all fields of the life sciences and biotechnology, including biochemistry, chemical biology, microbiology, synthetic biology, cancer research, genetics, and other fields of study.
  table of contents: 1.Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins / N.A. Baker -- 1.Introduction -- 2.Biomolecular Structure and Flexibility -- 3.Solvent Models or: How I Learned to Stop Worrying and Love the Dielectric Coefficient -- 4.Modeling Ion-Solute Interactions -- 5.Force Field and Parameter Choices -- 6.Conclusions -- Acknowledgments -- References -- 2.Path Sampling Methods for Enzymatic Quantum Particle Transfer Reactions / S.D. Schwartz -- 1.Introduction -- 2.Transition Path Sampling: A New Paradigm for the Study of Enzymatic Mechanism -- 3.New Methods for Calculation of Values Relevant to Enzyme Mechanism -- 4.Conclusion -- References -- 3.Accurate Calculation of Electric Fields Inside Enzymes / J.Z.H. Zhang -- 1.Introduction -- 2.Theoretical Methods -- Acknowledgments -- References -- 4.Molecular Dynamics Studies of Proton Transport in Hydrogenase and Hydrogenase Mimics / W.J. Shaw -- 1.Hydrogenases -- 2.Proton Transport -- 3.Computational Strategy -- 4.Proton Transport in Hydrogenase -- 5.Proton Transport in Hydrogenase Mimics -- 6.Summary -- Acknowledgments -- References -- 5.Modeling Mercury in Proteins / J.C. Smith -- 1.Introduction -- 2.Microbial Interactions with Hg -- 3.Future Perspectives -- Acknowledgments -- References -- 6.Steered Molecular Dynamics Methods Applied to Enzyme Mechanism and Energetics / A.E. Roitberg -- 1.Introduction -- 2.Discussion -- 3.Methodology -- References -- 7.New Algorithms for Global Optimization and Reaction Path Determination / B. Engels -- 1.Introduction -- 2.Global Optimization of Aqueous Systems -- 3.Optimization of Water Clusters (H2O)20, (H2O)30, and (H2O)40 -- 4.Illustrating the Basic Concepts of PO -- 5.Summary -- References -- 8.Simulation Studies of Protein and Small Molecule Interactions and Reaction / Y.Q. Gao -- 1.Conformation Sampling of Small Molecules and Proteins -- 2.Transportation of Small Molecules In Proteins -- 3.QM/MM MD Simulations of Enzymatic Reactions -- 4.Summary -- References…
  note: edited by Gregory A. Voth.
  note: Includes indexes.
  note: Includes bibliographical references and indexes.
  subject:
    topic: Enzymology
  subject:
    topic: Enzymes
    topic: Analysis
  subject:
    topic: Computational Biology
    topic: methods
  subject:
    topic: Enzymes
    topic: analysis
  subject:
    topic: Enzymes
    topic: chemical synthesis
  subject:
    topic: Enzymologie
  subject:
    topic: Enzymes
    topic: Analyse
  subject:
    topic: SCIENCE
    topic: Life Sciences
    topic: Biochemistry
  subject:
    topic: Enzymes
    topic: Analysis
  subject:
    topic: Enzymology
  classification: QP601
  classification: 572/.7
  related item:
    title info:
      title: Computational approaches for studying enzyme mechanism. Part B
    identifier: (OCoLC)947816727
  related item:
    title info:
      title: Methods in enzymology ; v. 578
  identifier: 0128111070
  identifier: 9780128111079
  identifier: 9780128111086
  identifier: 0128111089
  identifier: 944442 MIL
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: OPELS
    record creation date: 160812
    record change date: 20260327150837.3
    record identifier: in00005760924
    language of cataloging:
      language term: eng