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AP Johnson

Publications and source records attributed to AP Johnson.

3 recordsLinked to original sources
PubMed2000

Novel treatment of conformational flexibility using interval analysis

A revolutionary new flexible conformational search technique is presented together with its application to geometrical docking. The algorithm is guaranteed to find all (even an infinite number of) solutions in a continuous manner. Examples are given using 2-(4'-amidinophenyl)pyruvate (APPA) docked to trypsin. Other potential applications are briefly discussed.

Journal Article↗
PubMed2000

Expert system assisted pharmacophore identification

An expert system for automatic perception of pharmacophoric groups is presented. Important features include consideration of the protonation state at physiological pH and detection of potential tautomerism. This perception information is used in the generation of pharmacophores using clique detection.

Journal Article↗