Overview

Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. 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 most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a ""must"" for researchers and students wishing to stay up-to-date on current developments in computational chemistry.

Full Product Details

Author:   Ralph A. Wheeler (Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA) ,  David Spellmeyer (Department of Pharmaceutical Chemistry, School of Pharmacy, University of California San Francisco, San Francisco, CA, USA)
Publisher:   Elsevier Science & Technology
Imprint:   Elsevier Science Ltd
Volume:   4
Dimensions:   Width: 15.20cm , Height: 1.60cm , Length: 22.90cm
Weight:   0.440kg
ISBN:  

9780444532503

ISBN 10:   0444532501
Pages:   272
Publication Date:   30 December 2008
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Out of Print
Availability:   In Print  
Limited stock is available. It will be ordered for you and shipped pending supplier's limited stock.

Table of Contents

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

Reviews

Author Information

David Spellmeyer is a Biotechnology Executive and Entrepreneur with over 30 years of broad experience in the life sciences industry. He is Principal at Interlaken Associates where he works closely with both early-stage companies and venture capital firms to build and lead strong pre-clinical R&D scientific teams focused on establishing scientific proof-of-concept for novel innovations. David is also an adjunct Associate Professor of Pharmaceutical Chemistry at the University of California San Francisco (UCSF). He has been actively involved in the entrepreneurship and innovation ecosystem supporting founders, students, post-docs, and faculty, serving as a mentor in programs at UCSF, California Life Sciences Institute’s FAST programs, California State University’s CSUPERB, UC Davis MentorNet, and as a reviewer for NIH SBIR/STTR Study Sections. David has recently served as CSO at Circle Pharma, an Executive-in-Residence at Pandect Biosciences, head of Quality for a diagnostics company, and an executive advisor for several startups. Prior to building Interlaken Associates, he held positions at DuPont Pharma (BMS), Chiron (Novartis), Signature BioScience, Nodality, and IBM Research. David works very closely with business development teams and has completed over 20 non-dilutive strategic corporate partnerships, several mergers, acquisitions, and joint ventures and participated in several rounds of venture financing. He received his BS in computer science and chemistry from Purdue University and his PhD in theoretical organic chemistry from UCLA and completed his post-doctoral training in pharmaceutical chemistry at UCSF.

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