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Main Title Macromolecular structure and specificity : computer-assisted modeling and applications /
Author Venkataraghavan, Babu. ; Feldmann, Richard J.
Other Authors
Author Title of a Work
Venkataraghavan, Babu.
Feldmann, Richard J.
CORP Author New York Academy of Sciences.
Publisher New York Academy of Sciences,
Year Published 1985
OCLC Number 11814526
ISBN 0897662733; 9780897662734; 0897662725; 9780897662727
Subjects Macromolecules--Data processing--Congresses ; Computer Simulation ; Macromolecular Substances ; Models, Molecular
Additional Subjects Macromolecules--Data processing--Congresses
Internet Access
Description Access URL
Library Call Number Additional Info Location Last
EJEM  Q11.N5 v.439 1985 OCSPP Chemical Library/Washington,DC 10/28/1994
ELBM  Q11.N5 v.439 AWBERC Library/Cincinnati,OH 01/01/1988
Collation viii, 209 pages : illustrations (some color) ; 23 cm.
Papers presented at a conference which was held by New York Academy of Sciences on Oct. 12-14, 1983. Includes bibliographical references and index.
Contents Notes
Part 1 Topology and architecture of macromolecules -- Deduction of binding site structure from ligand binding data / Gordon M. Crippen -- Part 2 Computer-assisted macromolecular structure generation: extension of existing information -- On the construction of computer models of proteins by the extension of crystallographic structures / Richar J. Feldmann [and others] -- Protein structure and function by comparative model building / Jonathan Greer -- Generation of nucleic acid structures and binding of molecules to DNA / K.J. Miller [and others] -- Part 3 Molecular dynamics of macromolecules -- Molecular dynamics and minimum energy conformations of GnRH and analogs: a methodology for computer-aided drug design / R.S. Struthers, J. Rivier, A.T. Hagler -- Engineering aspects of protein structure / F.R. Salemme -- Dynamic aspects of protein structure / Martin Karplus -- Part 4 Applications of macromolecular specificity to drug design -- Modeling the mechanism of peptide cleavage by thermolysin / David G. Hangauer [and others] -- Design of anticancer drugs using modeling techniques / V.N. Balah [and others] -- Structure-activity studies: a three-dimensional probe of receptor specificity / Garland R. Marshall -- Part 5 Impact of computer hardware and graphics technology: future perspectives -- Calculations of the three-dimensional structures of proteins / Harold A. Scheraga -- A machine architecture for molecular dynamics: the systolic loop / Neil S. Ostlund, Robert A. Whiteside -- Papers presented at the conference but not submitted for publication: -- Part 1 -- The relevance of protein architecture to the design of new proteins / Jane S. Richardson -- Part 2 -- The use of one- and two-dimensional NMR spectroscopy to monitor the consequences of amino acid replacements in proteins / J.L. Markley [and others] -- Part 5 -- The future of molecular computer graphics or binding speed is of little use without illuminating interaction / Robert Langridge.