Annual Reports in Computational Chemistry: Annual Reports in Computational Chemistry, cartea 5
Editat de Ralph A. Wheeler, David Spellmeyeren Limba Engleză Paperback – 11 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