Annual Reports in Computational Chemistry

by Ralph A. Wheeler (Editor)

Overview

Annual Reports in Computational Chemistry provides 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. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.

• Quantum chemistry
• Molecular mechanics
• Force fields
• Chemical education and applications in academic and industrial settings

Product Details

ISBN-13:	9780444626684
Publisher:	Elsevier Science
Publication date:	09/28/2013
Series:	Annual Reports in Computational Chemistry , #9
Sold by:	Barnes & Noble
Format:	eBook
Pages:	128
File size:	3 MB

About the Author

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.

Table of Contents

Section A: Quantum Chemistry (Section Editor: Gregory S. Tschumper)

1. Ligand Steric Descriptors

Jenna A. Bilbrey and Wesley D. Allen

2. Efficient Monomer-Based Quantum Chemistry Methods for Molecular and Ionic Clusters

Leif D. Jacobson, Ryan M. Richard, Ka Un Lao and John M. Herbert

Section B: Bioinformatics (Section Editor: Wei Wang)

3. Atomistic Modeling of Phospho-Peptide Recognition for Modular Domains Chia-en A. Chang and Yu-ming M. Huang

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From the Publisher

Timely and critical reviews of important topics in computational chemistry