Molecular modeling computer-generated

New ways to represent structure data became available through molecular modeling by computer-based methods. The birth of interactive computer representation of molecular graphics was in the 196Ds. The first dynamic molecular pictures of small molecules were generated in 1964 by Lcvinthal in the Mathematics and Computation (MAC) project at the Electronic Systems Laboratoiy of the Massachusetts... 

These full color transparencies of illustrations from the text include reproductions of spectra orbital diagrams key tables computer generated molecular models and step by step reaction mechanisms... 

The use of computers as an additional tool in studying polymer shapes is discussed. A general discussion of molecular modeling is presented with specific application to polymers. An example relating hydrodynamic properties of hyaluronic acid to computer generated models is included. 

The molecular models can be used in computational simulations of functional mechanisms to generate and/or probe specific mechanistic hypotheses for structural changes involved in the various states of the receptors, both wild-type and mutant constructs. The structural context makes these hypotheses testable in collaborative experiments designed to probe specific predictions and refine functional insights (for comprehensive review, see ref. [5]). 

---