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The Annual Reports
in Computational Chemistry

Volume 5 - Table of Contents

Contributors

Preface

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



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