Rational Drug Design - The IMA Volumes in Mathematics and its Applications
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Published By Springer New York

9781461271598, 9781461214809

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Molecular Similarity

Rational Drug Design - The IMA Volumes in Mathematics and its Applications ◽

10.1007/978-1-4612-1480-9_4 ◽

1999 ◽

pp. 39-49 ◽

Author(s):

W. Graham Richards ◽

Daniel D. Robinson

Keyword(s):

Molecular Similarity

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Molecular Dynamics Information Extraction

Rational Drug Design - The IMA Volumes in Mathematics and its Applications ◽

10.1007/978-1-4612-1480-9_11 ◽

1999 ◽

pp. 127-147 ◽

Author(s):

Dennis Sprous ◽

Weidong Wang ◽

Ganesan Ravishanker ◽

Matthew A. Young ◽

David L. Beveridge

Keyword(s):

Molecular Dynamics ◽

Information Extraction

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Deducing Objective Site Models by Mixed Integer Programming

Rational Drug Design - The IMA Volumes in Mathematics and its Applications ◽

10.1007/978-1-4612-1480-9_10 ◽

1999 ◽

pp. 115-126

Author(s):

Gordon M. Crippen

Keyword(s):

Integer Programming ◽

Mixed Integer Programming ◽

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A Preliminary Multiobjective Analysis of the Chemotherapeutic Benefits of Hairpin-Linked Polyamides

Rational Drug Design - The IMA Volumes in Mathematics and its Applications ◽

10.1007/978-1-4612-1480-9_7 ◽

1999 ◽

pp. 81-92

Author(s):

Wynn L. Walker ◽

David S. Goodsell ◽

Richard E. Dickerson ◽

Elliot M. Landaw

Keyword(s):

Multiobjective Analysis

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Panel Discussion: Important Current Problems in Drug Design that may be Computationally Tractable

Rational Drug Design - The IMA Volumes in Mathematics and its Applications ◽

10.1007/978-1-4612-1480-9_1 ◽

1999 ◽

pp. 1-6

Author(s):

Dave Doherty ◽

Bill Dunn ◽

Graham Richards ◽

Doug Rohrer ◽

A. J. Hopfinger ◽

...

Keyword(s):

Drug Design ◽

Panel Discussion

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Growmol, A De novo Computer Program, and its Application to Thermolysin and Pepsin: Results of the Design and Synthesis of a Novel Inhibitor

Rational Drug Design - The IMA Volumes in Mathematics and its Applications ◽

10.1007/978-1-4612-1480-9_9 ◽

1999 ◽

pp. 103-114 ◽

Author(s):

Regine Bohacek ◽

Colin Mcmartin ◽

Peter Glunz ◽

Daniel H. Rich

Keyword(s):

Computer Program ◽

De Novo ◽

Design And Synthesis

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Cell-Based Methods for Sampling in High-Dimensional Spaces

Rational Drug Design - The IMA Volumes in Mathematics and its Applications ◽

10.1007/978-1-4612-1480-9_6 ◽

1999 ◽

pp. 73-79 ◽

Author(s):

Jason A. Rush

Keyword(s):

High Dimensional

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Ionic Charging Free Energies Using Ewald Summation

Rational Drug Design - The IMA Volumes in Mathematics and its Applications ◽

10.1007/978-1-4612-1480-9_12 ◽

1999 ◽

pp. 149-161 ◽

Author(s):

Tom Darden

Keyword(s):

Free Energies ◽

Ewald Summation

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Using Structural Information for the Creative Design of Molecules

Rational Drug Design - The IMA Volumes in Mathematics and its Applications ◽

10.1007/978-1-4612-1480-9_8 ◽

1999 ◽

pp. 93-101

Author(s):

Colin McMartin ◽

Regine S. Bohacek

Keyword(s):

Structural Information ◽

Creative Design

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Panel Discussion: New Problems that Should be Addressed in the Next Ten Years

Rational Drug Design - The IMA Volumes in Mathematics and its Applications ◽

10.1007/978-1-4612-1480-9_2 ◽

1999 ◽

pp. 7-9

Author(s):

Gordon Crippen ◽

Simon Kearsley ◽

Garland Marshall ◽

Phil Portoghese ◽

Jeff Blaney

Keyword(s):

Panel Discussion

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