Annual Reports in Computational Chemistry: Annual Reports in Computational Chemistry, cartea 6
Editat de Ralph A. Wheeler, David Spellmeyeren Limba Engleză Paperback – 21 oct 2010
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Specificații
ISBN-13: 9780444535528
ISBN-10: 0444535527
Pagini: 344
Dimensiuni: 152 x 229 x 23 mm
Greutate: 0.52 kg
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry
ISBN-10: 0444535527
Pagini: 344
Dimensiuni: 152 x 229 x 23 mm
Greutate: 0.52 kg
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry
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Public țintă
Researchers and students interested in computational chemistryCuprins
Section
A1.
Advancements
in
Molecular
Dynamics
Simulations
of
Biomolecules
on
Graphical
Processing
UnitsDong
Xu,
Mark
J.
Williamson,
Ross
C.
Walker2.
Quantum
Chemistry
on
Graphics
Processing
UnitsAndreas
W.
Gotz,
Thorsten
Wole,
Ross
C.
Walker3.
Computing
Free-Energy
Profiles
using
Multidimensional
Potentials
of
Mean
Force
and
Polynomial
Quadrature
MethodsJonah
Z.
Vilseck
and
Orlando
Acevedo4.
QM/MM
Alchemical
Free
Energy
Simulations:
Challenges
and
Recent
DevelopmentsWei
Yang,
Qiang
Cui,
Donghong
Min,
and
Hongzhi
Li
Section B5. Deciphering Structural Fingerprints for Metalloproteins with Quantum Chemical CalculationsYan Ling and Yong Zhang6. Ab initio Electron Propagator Methods:Applications to Fullerenes and Nucleic Acid FragmentsViatcheslav G. Zakrzewski, Olga Dolgounitcheva, Alexander V. Zakjevskii and J. V. Ortiz
Section C7. Using Density Functional Theory methods for modeling induction and dispersion interactions in ligand-protein complexesHunter Utkov, Maura Livengood, and Mauricio Cafiero8. Theoretical Calculations of Acid Dissociation Constants: A Review ArticleKristin S. Alongi and George C. Shields9. Antibiotics Targeting the Ribosome: Structure Based Design and the Nobel Prize Edward C. Sherer
Section D10. Insights into the role of conformational transitions and metal ion binding in RNA catalysis from molecular simulationsTai-Sung Lee, George M. Giambasu, Darrin M. York11. Atomistic Modeling of Solid Oxide Fuel CellsC. Heath Turner, Xian Wang, Kah Chun Lau, Wei An, and Brett I. Dunlap
Section E12. Modelling signalling processes across cellular membranes using a mesoscopic approachGeorge Khelashvili and Daniel Harries13. Folding of conjugated proteinsDalit Shental-Bechor, Oshrit Arviv, Tzachi Hagai, and Yaakov Levy
Section F14. Mean-force scoring functions for protein-ligand bindingSheng-You Huang and Xiaoqin Zou
Section B5. Deciphering Structural Fingerprints for Metalloproteins with Quantum Chemical CalculationsYan Ling and Yong Zhang6. Ab initio Electron Propagator Methods:Applications to Fullerenes and Nucleic Acid FragmentsViatcheslav G. Zakrzewski, Olga Dolgounitcheva, Alexander V. Zakjevskii and J. V. Ortiz
Section C7. Using Density Functional Theory methods for modeling induction and dispersion interactions in ligand-protein complexesHunter Utkov, Maura Livengood, and Mauricio Cafiero8. Theoretical Calculations of Acid Dissociation Constants: A Review ArticleKristin S. Alongi and George C. Shields9. Antibiotics Targeting the Ribosome: Structure Based Design and the Nobel Prize Edward C. Sherer
Section D10. Insights into the role of conformational transitions and metal ion binding in RNA catalysis from molecular simulationsTai-Sung Lee, George M. Giambasu, Darrin M. York11. Atomistic Modeling of Solid Oxide Fuel CellsC. Heath Turner, Xian Wang, Kah Chun Lau, Wei An, and Brett I. Dunlap
Section E12. Modelling signalling processes across cellular membranes using a mesoscopic approachGeorge Khelashvili and Daniel Harries13. Folding of conjugated proteinsDalit Shental-Bechor, Oshrit Arviv, Tzachi Hagai, and Yaakov Levy
Section F14. Mean-force scoring functions for protein-ligand bindingSheng-You Huang and Xiaoqin Zou