Annual Reports in Computational Chemistry: Annual Reports in Computational Chemistry, cartea 4
Editat de Ralph A. Wheeler, David Spellmeyeren Limba Engleză Hardback – 29 dec 2008
* 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: 9780444532503
ISBN-10: 0444532501
Pagini: 272
Dimensiuni: 152 x 229 x 16 mm
Greutate: 0.53 kg
Ediția:New.
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry
ISBN-10: 0444532501
Pagini: 272
Dimensiuni: 152 x 229 x 16 mm
Greutate: 0.53 kg
Ediția:New.
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry
Public țintă
Researchers and students interested in computational chemistryCuprins
Section 1: Bioinformatics (Section Editor: Wei Wang)
1. Structural Perspectives on Protein Evolution - Eric Franzosa and Yu Xia
2. Predicting Selectivity and Druggability in Drug Discovery - Alan C. Cheng
Section 2: Biological Modeling (Section Editor: Nathan Barker)
3. Machine Learning for Protein Structure and Function Prediction - Robert Ezra Langlois and Hui Lu
4. Modeling Protein-Protein and Protein-Nucleic Acid Interactions: Structure, Thermodynamics, and Kinetics - Huan-Xiang Zhou, Sanbo Qin and Harianto Tjong
5. Analysing Protein NMR pH-titration Curves - Jens Erik Nielsen
6. Implicit Solvent Simulations of Biomolecules in Cellular Environments - Michael Feig, Seiichiro Tanizaki, and Maryam Sayadi
Section 3: Simulation Methodologies (Section Editor: Carlos Simmerling)
7. Implicit Solvent Models in Molecular Dynamics Simulations: A Brief Overview - Alexey Onufriev
8. Comparing MD Simulations and NMR Relaxation Parameters - Vance Wong and David A. Case
1. Structural Perspectives on Protein Evolution - Eric Franzosa and Yu Xia
2. Predicting Selectivity and Druggability in Drug Discovery - Alan C. Cheng
Section 2: Biological Modeling (Section Editor: Nathan Barker)
3. Machine Learning for Protein Structure and Function Prediction - Robert Ezra Langlois and Hui Lu
4. Modeling Protein-Protein and Protein-Nucleic Acid Interactions: Structure, Thermodynamics, and Kinetics - Huan-Xiang Zhou, Sanbo Qin and Harianto Tjong
5. Analysing Protein NMR pH-titration Curves - Jens Erik Nielsen
6. Implicit Solvent Simulations of Biomolecules in Cellular Environments - Michael Feig, Seiichiro Tanizaki, and Maryam Sayadi
Section 3: Simulation Methodologies (Section Editor: Carlos Simmerling)
7. Implicit Solvent Models in Molecular Dynamics Simulations: A Brief Overview - Alexey Onufriev
8. Comparing MD Simulations and NMR Relaxation Parameters - Vance Wong and David A. Case
Descriere
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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.