Computer assisted simulations and molecular graphics methods in molecular design

1994 ◽  
Vol 4 (4) ◽  
pp. 415-430
Author(s):  
C. M. Soares ◽  
O. Tapia
Keyword(s):  
Molecular Design ◽  
Computer Assisted ◽  
Molecular Graphics

Computer assisted simulations and molecular graphics methods in molecular design 2. Proteinases and receptor and transport proteins

1994 ◽  
Vol 4 (4) ◽  
pp. 375-414 ◽  
Author(s):  
F. M. L. G. Stamato ◽  
M. Paulino ◽  
R. Garratt ◽  
C. M. Soares ◽  
O. Tapia
Keyword(s):  
Molecular Design ◽  
Transport Proteins ◽  
Computer Assisted ◽  
Molecular Graphics

Computer-Assisted Molecular Design (CAMD)

2016 ◽  
Author(s):  
H. Van De Waterbeemd ◽  
R. E. Carter ◽  
G. Grassy ◽  
H. Kubinyi ◽  
Y. C. Martin ◽  
...  
Keyword(s):  
Molecular Design ◽  
Computer Assisted

Computer-assisted protein engineering analysis and design [abstract only]

1986 ◽  
Vol 317 (1540) ◽  
pp. 357-357
Keyword(s):  
Protein Engineering ◽  
Effective Means ◽  
Molecular Structures ◽  
Site Directed Mutagenesis ◽  
Computer Assisted ◽  
Protein Chain ◽  
Engineering Analysis ◽  
Molecular Graphics ◽  
Symbol Manipulation ◽  
Analysis And Design

Interactive computer graphics is now established as the most effective means of visualizing and manipulating complex molecular structures. Numerical processors continue to increase in power, and systems designed for symbol manipulation and logic programming are finally emerging from computer science laboratories. Our current research on computer-assisted protein engineering analysis and design, in which we integrate the numeric, symbolic and graphic approaches, is described. The investigator may selectively view, manipulate and modify primary, secondary and tertiary structures, making use of the computational tools that are most effective for each task. Research on protein chain folding, structural modifications related to site-directed mutagenesis, and DNA-protein interactions is described. Progress in molecular graphics techniques is reviewed.

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