Annual Reports in Computational Chemistry

Edited by

  • Ralph Wheeler, Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA
  • David Spellmeyer, Nodality, Inc., CA, USA

Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a "must" for researchers and students wishing to stay up-to-date on current developments in computational chemistry.
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Researchers and students interested in computational chemistry


Book information

  • Published: October 2009
  • Imprint: ELSEVIER
  • ISBN: 978-0-444-53359-3

Table of Contents

1. Free energies of lipid – lipid interactions in membranes

- W.F. Drew Bennett* and D. Peter Tieleman

2. Quantifying uncertainty and sampling quality in biomolecular simulations

- Alan Grossfield and Daniel M. Zuckerman

 3. Methods for Monte Carlo simulations of biomacromolecules

- Andreas Vitalis*, and Rohit V. Pappu

4. Accelerated Molecular Dynamics Methods: Introduction and Recent Developments

    -D. Perez, B. P. Uberuaga, Y. Shim, J. G. Amar and A. F. Voter

      5. Recent Advances on in silico ADME Modeling

      -Junmei Wang and Tingjun Hou

      6. Explicitly correlated coupled-cluster methods

      - Toru Shiozaki∗ Edward F. Valeev∗ and So Hirata

      7. The Density Matrix Renormalization Group in Quantum Chemistry

        Garnet Kin-Lic Chan and Dominika Zgid

          8. Electron Transfer in Gaseous Positively Charged Peptides - Relation to Mass Spectrometry

          - Jack Simons