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F H Allen

Publications and source records attributed to F H Allen.

At least 109 records · Page 6Linked to original sources
PubMedDate not supplied

Similarity searching in databases of three-dimensional molecules and macromolecules.

This paper discusses algorithmic techniques for measuring the degree of similarity between pairs of three-dimensional (3-D) chemical molecules represented by interatomic distance matrices. A comparison of four methods for the calculation of 3-D structural similarity suggests that the most effective one is a procedure that identifies pairs of atoms, one from each of the molecules that are being compared, that lie at the center of geometrically-related volumes of 3-D space. This atom mapping method enables the calculation of a wide range of types of intermolecular similarity coefficient, including measures that are based on physicochemical data. Massively-parallel implementations of the method are discussed, using the AMT Distributed Array Processor, that achieve a substantial increase in performance when compared with a sequential implementation on a UNIX workstation. Current work involves the use of angular information and the extension of the method to field-based similarity searching. Similarity searching in 3-D macromolecules is effected by the use of a maximal common subgraph (MCS) isomorphism algorithm with a novel, graph-based representation of the tertiary structures of proteins. This algorithm is being used to identify similarities between the 3-D structures of proteins in the Brookhaven Protein Data Bank; its use is exemplified by searches involving the NAD-binding fold motif.

Algorithms↗
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Blood banking as a professional discipline in medicine.

A closer orientation of blood banking toward optimal donor and patient care will depend upon an enlargement of the manpower pool of physicians with specific competence in this area. Toward this end, programs must be developed within medical school curricula, and comprehensive postgraduate training programs must be available for those interested in committing themselves fully to this specialty. Continuing education must be made available to part-time blood banking professionals in order that they remain abreast of newer developments. Recognition of their skills can now come about through competence testing and certification programs. Improvements in management of the blood resource may then be expected to occur in parallel with the increase in numbers and quality of the professionals within this unique specialty.

Allergy and Immunology↗
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Rh nomenclature.

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Epitopes↗