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Molecular modeling of protein structures

Rachelle J. Bienstock
From: Science & Medicine: Volume 4 Number 1: Page 54 (February 1997)

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Abstract: Molecular modeling emplays a variety of computer programs to simulate the three-dimensional structure of proteins from their amino acid sequences. Describing interaction between proteins, such as inzymes and their substrates, is the first step in structure-based drug design. Small peptides with similar interactions can then be deeveloped as templates for the design of mimetics that are therapeutically useful. Collaborative efforts among many research groups contribute to a continuing refinement of molecular modeling techniques.

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