Annual reports in computational chemistry. Volume 3 (2007)

• Record Type: Book
• Further Information: Note: Edited by David C. Spellmeyer, Ralph A. Wheeler.
• Other Names: Spellmeyer, David Charles, 1961-; Wheeler, Ralph A; American Chemical Society., Division of Computers in Chemistry.
• Contents: Simulation Methodologies; ; Chapter 1 Molecular Simulations of pH-Mediated Biological Processes; Chapter 2 Extending Atomistic Time Scale Simulations by Optimization of the Action; Chapter 3 Fishing for Functional Motions with Elastic Network Models; Chapter 4 Alchemical Free Energy Calculations: Ready for Prime Time?; ; Biological and Biophysical; ; Chapter 5 Linear Quantitative Structure-Activity Relationships for the Interaction of Small Molecules with Human Cytochrome P450 Isoenzymes; ; Chemical Education; ; Chapter 6 Observations on Crystallographic Education; Chapter 7 Achieving a Holistic Web in the Chemistry Curriculum; ; Materials and Polymers; ; Chapter 8 The Role of Long-time Correlation in Dissipative Adsorbate Dynamics on Metal Surfaces; ; Quantum Chemistry; ; Chapter 9 An Active Database Approach to Complete Rotational-Vibrational Spectra of Small Molecules; Chapter 10 The Effective Fragment Potential: A General Method for Predicting Intermolecular Interactions; Chapter 11 Gaussian Basis Sets Exhibiting Systematic Convergence to the Complete Basis Set Limit; ; Emerging Technologies; ; Chapter 12 Principles of G-Protein Coupled Receptor Modeling for Drug Discovery
• Publisher Details: Amsterdam Boston : Elsevier
• Publication Date: 2007
• Extent: 1 online resource (xiii, 240 pages), illustrations
• Subjects: 542/.85; Chemistry -- Data processing; Chemistry -- Computer simulation; SCIENCE -- Chemistry -- Clinical; Chemistry -- Computer simulation; Chemistry -- Data processing; Electronic books
• Languages: English
• ISBNs: 9780080552774; 0080552773
• Notes: Note: Includes bibliographical references and indexes.; Note: Print version record.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.