J
Jeffrey M. Blaney
Researcher at Chiron Corporation
Publications - 38
Citations - 2122
Jeffrey M. Blaney is an academic researcher from Chiron Corporation. The author has contributed to research in topics: Dihydrofolate reductase & Ligand (biochemistry). The author has an hindex of 21, co-authored 38 publications receiving 2020 citations.
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Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
Eric J. Martin,Jeffrey M. Blaney,Michael A. Siani,David C. Spellmeyer,Alexander Wong,Walter H. Moos +5 more
TL;DR: New methods to quantify molecular diversity using descriptors that characterize lipophilicity, shape and branching, chemical functionality, and specific binding features are described and quantify the overall diversity accessible to different families of combinatorial chemistry.
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Electrostatic potential molecular surfaces
TL;DR: Electrostatic and topographic complementarity in macromolecule-ligand interactions is illustrated, powerful in revealing intermolecular specificity and shows promise of having predictive value in drug design.
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Orientational sampling and rigid-body minimization in molecular docking.
TL;DR: In this paper, the DOCK suite of programs has been applied to several systems; here, the degree of orientational sampling required to reproduce and identify known binding modes, with and without rigid-body energy minimization, is investigated for four complexes.
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A good ligand is hard to find: Automated docking methods
Jeffrey M. Blaney,J. Scott Dixon +1 more
TL;DR: This work reviews major approaches for docking small-molecule ligands to receptors and focuses on the successes and limitations of their application to drug design.