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Annual Reports in Computational Chemistry
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  • Annual Reports in Computational Chemistry
ID: 170559
Ralph Wheeler, David Spellmeyer
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Annual Reports in Computational Chemistry is an important chemical discipline. 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 topic of computational chemists. Annual Reports in Computational Chemistry is a "must" for researchers and students.

* Broad coverage of computational chemistry and up-to-date information
* Topics covered include bioinformatics, drug discovery, protein NMR, simulation methodologies, and applications in academic and industrial settings
* Each chapter reviews the interest in computational chemists

1. Free energies of lipid - lipid interactions in membranes


- WF 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, BP Uberuaga, Y. Shim, JG Amar and AF 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

170559

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