Annals of the New York Academy of Sciences

Cover image for Annals of the New York Academy of Sciences

March 1985

Volume 439 Macromolecular Structure and Specificity: Computer-Assisted Modeling and Applications

Pages 1–209

  1. PART I. TOPOLOGY & ARCHITECTURE OF MACROMOLECULES

    1. Top of page
    2. PART I. TOPOLOGY & ARCHITECTURE OF MACROMOLECULES
    3. PART II. COMPUTER-ASSISTED MACROMOLECULAR STRUCTURE GENERATION:EXTENSION OF EXISTING INFORMATION
    4. PART III. MOLECULAR DYNAMICS OF MACROMOLECULES
    5. PART IV. APPLICATIONS OF MACROMOLECULAR SPECIFICITY TO DRUG DESIGN
    6. PART V. IMPACT OF COMPUTER HARDWARE & GRAPHICS TECHNOLOGY: FUTURE PERSPECTIVES
    1. Deduction of Binding Site Structure from Ligand Binding Data (pages 1–11)

      GORDON M. CRIPPEN

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25786.x

    2. PART II. COMPUTER-ASSISTED MACROMOLECULAR STRUCTURE GENERATION: EXTENSION OF EXISTING INFORMATION: On the Construction of Computer Models of Proteins by the Extension of Crystallographic Structures (pages 12–43)

      RICHARD J. FELDMANN, DAVID H. BING, MICHAEL POTTER, CHARLES MAINHART, BRUCE FURIE, BARBARA C. FURIE and LYNN H. CAPORALE

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25787.x

  2. PART II. COMPUTER-ASSISTED MACROMOLECULAR STRUCTURE GENERATION:EXTENSION OF EXISTING INFORMATION

    1. Top of page
    2. PART I. TOPOLOGY & ARCHITECTURE OF MACROMOLECULES
    3. PART II. COMPUTER-ASSISTED MACROMOLECULAR STRUCTURE GENERATION:EXTENSION OF EXISTING INFORMATION
    4. PART III. MOLECULAR DYNAMICS OF MACROMOLECULES
    5. PART IV. APPLICATIONS OF MACROMOLECULAR SPECIFICITY TO DRUG DESIGN
    6. PART V. IMPACT OF COMPUTER HARDWARE & GRAPHICS TECHNOLOGY: FUTURE PERSPECTIVES
    1. Protein Structure and Function by Comparative Model Building (pages 44–63)

      JONATHAN GREER

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25788.x

    2. Generation of Nucleic Acid Structures and Binding of Molecules to DNA (pages 64–80)

      K. J. MILLER, FREDERICK H. REIN, ERIC R. TAYLOR and PAUL J. KOWALCZYK

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25789.x

  3. PART III. MOLECULAR DYNAMICS OF MACROMOLECULES

    1. Top of page
    2. PART I. TOPOLOGY & ARCHITECTURE OF MACROMOLECULES
    3. PART II. COMPUTER-ASSISTED MACROMOLECULAR STRUCTURE GENERATION:EXTENSION OF EXISTING INFORMATION
    4. PART III. MOLECULAR DYNAMICS OF MACROMOLECULES
    5. PART IV. APPLICATIONS OF MACROMOLECULAR SPECIFICITY TO DRUG DESIGN
    6. PART V. IMPACT OF COMPUTER HARDWARE & GRAPHICS TECHNOLOGY: FUTURE PERSPECTIVES
    1. Molecular Dynamics and Minimum Energy Conformations of GnRH and Analogs: A Methodology for Computer-aided Drug Design (pages 81–96)

      R. S. STRUTHERS, J. RIVIER and A. T. HAGLER

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25790.x

    2. Engineering Aspects of Protein Structure (pages 97–106)

      F. R. SALEMME

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25791.x

    3. Dynamic Aspects of Protein Structure (pages 107–123)

      MARTIN KARPLUS

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25792.x

  4. PART IV. APPLICATIONS OF MACROMOLECULAR SPECIFICITY TO DRUG DESIGN

    1. Top of page
    2. PART I. TOPOLOGY & ARCHITECTURE OF MACROMOLECULES
    3. PART II. COMPUTER-ASSISTED MACROMOLECULAR STRUCTURE GENERATION:EXTENSION OF EXISTING INFORMATION
    4. PART III. MOLECULAR DYNAMICS OF MACROMOLECULES
    5. PART IV. APPLICATIONS OF MACROMOLECULAR SPECIFICITY TO DRUG DESIGN
    6. PART V. IMPACT OF COMPUTER HARDWARE & GRAPHICS TECHNOLOGY: FUTURE PERSPECTIVES
    1. Modeling the Mechanism of Peptide Cleavage by Thermolysin (pages 124–139)

      DAVID G. HANGAUER, PETER GUND, JOSEPH D. ANDOSE, BRUCE L. BUSH, EUGENE M. FLUDER, EUGENE F. McINTYRE and GRAHAM M. SMITH

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25793.x

    2. Design of Anticancer Drugs Using Modeling Techniques (pages 140–161)

      V. N. BALAJI, J. SCOTT DIXON, D. H. SMITH, R. VENKATARAGHAVAN and K. C. MURDOCK

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25794.x

    3. Structure-Activity Studies: A Three-Dimensional Probe of Receptor Specificity (pages 162–169)

      GARLAND R. MARSHALL

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25795.x

  5. PART V. IMPACT OF COMPUTER HARDWARE & GRAPHICS TECHNOLOGY: FUTURE PERSPECTIVES

    1. Top of page
    2. PART I. TOPOLOGY & ARCHITECTURE OF MACROMOLECULES
    3. PART II. COMPUTER-ASSISTED MACROMOLECULAR STRUCTURE GENERATION:EXTENSION OF EXISTING INFORMATION
    4. PART III. MOLECULAR DYNAMICS OF MACROMOLECULES
    5. PART IV. APPLICATIONS OF MACROMOLECULAR SPECIFICITY TO DRUG DESIGN
    6. PART V. IMPACT OF COMPUTER HARDWARE & GRAPHICS TECHNOLOGY: FUTURE PERSPECTIVES
    1. Calculations of the Three-Dimensional Structures of Proteins (pages 170–194)

      HAROLD A. SCHERAGA

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25796.x

    2. A Machine Architecture for Molecular Dynamics: The Systolic Loop (pages 195–208)

      NEIL S. OSTLUND and ROBERT A. WHITESIDE

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25797.x

    1. Index of Contributors (page 209)

      Article first published online: 16 DEC 2006 | DOI: 10.1111/j.1749-6632.1985.tb25798.x

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