Last edited by Samugar
Tuesday, July 28, 2020 | History

3 edition of Biomolecular simulation found in the catalog.

Biomolecular simulation

Haibo Yu

Biomolecular simulation

inclusion of polarizability, prediction of conformational stability, and analysis of peptide folding and association

by Haibo Yu

  • 96 Want to read
  • 21 Currently reading

Published by Shaker Verlag in Aachen .
Written in English

    Subjects:
  • Molecular dynamics -- Computer simulation.,
  • Biomolecules -- Computer simulation.,
  • Polarization.

  • Edition Notes

    StatementHaibo Yu.
    SeriesBerichte aus der chemie
    The Physical Object
    Paginationxvi, 207 p. :
    Number of Pages207
    ID Numbers
    Open LibraryOL22172941M
    ISBN 103832234527

      CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological interest, including proteins, peptides, lipids, nucleic acids, carbohydrates and small molecule ligands, as they occur in solution, crystals, and membrane environments. The third volume in the series on Computer Simulation of Biomolecular Systems continues with the format introduced in the first volume [1] and elaborated in the second volume [2]. The primary emphasis is on the methodological aspects of simulations, although there are some chapters that present the results obtained for specific systems of.

    Computer Simulation Of Biomolecular Systems by W.F. van Gunsteren, Computer Simulation Of Biomolecular Systems Books available in PDF, EPUB, Mobi Format. Download Computer Simulation Of Biomolecular Systems books, This book is the third volume in this highly successful series. Since the first volume in and the second in , many exciting. This volume explores the recent advancements in biomolecular simulations of proteins, small molecules, and nucleic acids, with a primary focus on classical molecular dynamics (MD) simulations at atomistic, coarse-grained, and quantum/ab-initio levels. The chapters in this book are divided into four parts: Part One looks at recent techniques.

    The Amber Biomolecular Simulation Programs DAVID A. CASE 1, THOMAS E. CHEATHAM III 2, TOM DARDEN 3, HOLGER GOHLKE 4, RAY LUO 5, KENNETH M. MERZ JR. 6, ALEXEY ONUFRIEV 7, CARLOS SIMMERLING 8. ISBN: OCLC Number: Description: xiii, pages: illustrations (some color) Contents: Ab Initio, density functional theory, and semi-empirical calculations / Mikael P. Johansson, Ville R.I. Kaila, and Dage Sundholm --Ab Initio molecular dynamics / Kari Laasonen --Introduction to QM/MM simulations / Gerrit Groenhof - .


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Biomolecular simulation by Haibo Yu Download PDF EPUB FB2

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perimentation can aid the testing and development of coherent theories for the mechanism of a biomolecular phe-nomenon. Simulation approaches are especially well-suited to studies of biomolecular structure and dynamics, for rea-sons that range from conceptual to practical.

Conceptually, many computational methods have developed out of. This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.

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BioSimGrid is a distributed biomolecular simulation database. It is a general-purpose database for trajectories from molecular dynamics simulations.

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Print Book & E-Book. ISBNMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system.

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Price New from Used from Paperback, Import, January 1, "Please retry" — — — Paperback Author: Wilfred Gunsteren. AMOEBA Model (Atomic Multipole Optimized Energetics for Biomolecular Applications) AMOEBA is one of the various force fields with the ability to describe electronic polarization.

AMOEBA treats electrostatics using a combination of fixed and polarizable multipoles. The third volume in the series on Computer Simulation of Biomolecular Systems continues with the format introduced in the first volume [1] and elaborated in the second volume [2].

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