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Annual Reports in Computational Chemistry
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  • Annual Reports in Computational Chemistry
ID: 170558
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

Section 1: Bioinformatics (Section Editor: Wei Wang)
1. Structural Perspectives on Protein Evolution - Eric Franzosa and Yu Xia
2. Predicting Selectivity and Drugs 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. Analyzing NMR Protein 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
170558

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