A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.

By P. Goodford. 1985

Subfields: Computational Chemistry & Drug Discovery

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Citations in the corpus

A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets (2015, background): “Grid points of equal interaction strength are connected to form a contour map of the binding pocket, which allows easy identification of potential regions of interest to exploit (22).”
Virtual ligand screening: strategies, perspectives and limitations (2006, methodology): “62 Goodford, P.J. (1985) A computational procedure for determining energetically”
Rapid and Accurate Prediction and Scoring of Water Molecules in Protein Binding Sites (2012, methodology): “A popular empirical method is GRID, which calculates the interaction energy of a chemical probe around a protein [51].”
Computational Methods in Drug Discovery (2014, methodology): “One popular field generation method for property-based alignments is GRID (Goodford, 1985).”
Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand (2015, unknown): “Beginning with PJ Goodford ’ s work in computational drug design [1], many methods have been developed to predict interactions between proteins and small molecules.”
Roll: a new algorithm for the detection of protein pockets and cavities with a rolling probe sphere (2010, methodology): “GRID (Goodford, 1985) is a well-known energy calculation method, which calculates interaction energy with a set of empirical energy functions including Lennard-Jones function, electrostatic function and hydrogen bond function, using water, methyl group, or amine nitrogen as the probe group.”