Reviews in Computational Chemistry, Volume 22 - Donald Boyd.pdf - eBooks - Tkanczak

Reviews in

Computational

Chemistry

Volume 22

Reviews in

Computational

Chemistry

Volume 22

Edited by

Kenny B. Lipkowitz, Thomas R. Cundari,

and Valerie J. Gillet

Editor Emeritus

Donald B. Boyd

Kenny B. Lipkowitz

Department of Chemistry

Howard University

525 College Street, N.W.

Washington, D. C., 20059

ken.lipkowitz@cox.net

Valerie J. Gillet

Department of Information Studies

University of Shefﬁeld

Regent Court, 211 Portobello Street

Shefﬁeld, S1 4DP U.K.

v.gillet@shefﬁeld.ac.uk

Thomas R. Cundari

Department of Chemistry

University of North Texas

Box 305070,

Denton, Texas 76203-5070, U.S.A.

tomc@unt.edu

Donald B. Boyd

Department of Chemistry

Indiana University-Purdue University

at Indianapolis

402 North Blackford Street

Indianapolis, Indiana 46202-3274, U.S.A.

boyd@chem.iupui.edu

Published by John Wiley & Sons, Inc., Hoboken, New Jersey.

Published simultaneously in Canada.

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ISBN-13 978-0-471-77938-4

ISBN-10 0-471-77938-5

ISSN 1069-3599

Printed in the United States of America

10987654321

Preface

Toward the end of the twentieth century, a series of well-planned and

visionary conferences, along with successful developments in both scientiﬁc

achievement and policy making, led to a 1988 memorandum of interagency

cooperation that provided the foundation for an NIH-DOE collaboration

to achieve the goals of the U.S. Human Genome Project (HGP) (Major

Events in the U.S. Human Genome Project and Related Projects: http://

www.ornl.gov/sci/techresources/Human_Genome/project/timeline.shtml).

What followed was a momentous conﬂuence of talent, ego, ﬁnances, and hard

work dedicated to determining all genes, now estimated at 20,000–25,000 in

number, from all three billion base pairs in the human genome. It was a project

of epic proportion; tens of organizations, hundreds of laboratories, and thou-

sands of workers eventually achieved that goal and reported their work, for-

mally, by concurrent publications in mid-February of 2001 (free online

publications can be found at http://www.nature.com/genomics/index.html

and http://www.sciencemag.org/content/vol291/issue5507/). The HGP was

completed in 2003.

As the frenetic pace of genomics quickened near the turn of the century,

most of us not involved in that fray were cognizant that another, more valu-

able prize, the human proteome, was being targeted even as concrete was

being poured for buildings to house new departments, institutes, and compa-

nies dedicated to genomic research. Of the major classes of biological mole-

cules, proteins have had the scientiﬁc spotlight focused on them in the past,

and they will continue to enjoy that spotlight shine for the foreseeable future.

The signiﬁcance of proteins, from the perspective of basic science where

curiosity-driven exploration takes place to industry where economic engines

drive advances in medicine, is unrivaled and is a focus of this, the twenty-sec-

ond volume of Reviews in Computational Chemistry .

One project that will advance our understanding of the proteome is the

Protein Structure Initiative (PSI: http://www.nigms.nih.gov/psi/). Its goal is

‘‘... to make the three-dimensional atomic-level structures of most proteins

easily obtainable from knowledge of their corresponding DNA sequences.’’

Here, high-throughput protein structure generation is taking place on an

unprecedented scale to achieve a systematic sampling of major protein

Reviews in Computational Chemistry, Volume 22 - Donald Boyd.pdf

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