Annual Reports in Computational Chemistry: Annual Reports in Computational Chemistry, cartea 5
Editat de Ralph A. Wheeler, David Spellmeyeren Limba Engleză Paperback – 10 noi 2009
* 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 most recent literature on a specific topic of interest to computational chemists
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Specificații
ISBN-13: 9780444533593
ISBN-10: 0444533591
Pagini: 216
Dimensiuni: 152 x 229 x 13 mm
Greutate: 0.3 kg
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry
Locul publicării:United Kingdom
ISBN-10: 0444533591
Pagini: 216
Dimensiuni: 152 x 229 x 13 mm
Greutate: 0.3 kg
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry
Locul publicării:United Kingdom
Public țintă
Researchers and students interested in computational chemistryCuprins
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
- 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
Descriere
Descriere de la o altă ediție sau format:
Presents critical reviews of important topics in computational chemistry as applied to various chemical disciplines. This title covers such topics as quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings, focusing on the advances in the field.
Presents critical reviews of important topics in computational chemistry as applied to various chemical disciplines. This title covers such topics as quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings, focusing on the advances in the field.