Systematic drug receptor mapping: A new
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Lilly Sanathanan; Elizabeth Danaher; Ki-Hwan Kim; Yvonne Martin
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Article
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1987
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John Wiley and Sons
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English
โ 755 KB
The computer program PRODIS is used to find low energy conformations of flexible molecules by searching the potential energy surface(s) of one or more torsion angles via rigid rotation. The n-dimensional grid of energy versus torsion angles is then converted to a Boltzman probability distribution, w