E
Edward W. Lowe
Researcher at Vanderbilt University
Publications - 25
Citations - 1766
Edward W. Lowe is an academic researcher from Vanderbilt University. The author has contributed to research in topics: Support vector machine & PubChem. The author has an hindex of 11, co-authored 24 publications receiving 1322 citations. Previous affiliations of Edward W. Lowe include Vanderbilt University Medical Center & Xavier University of Louisiana.
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Journal ArticleDOI
Computational Methods in Drug Discovery
TL;DR: Computer-aided drug discovery/design methods have played a major role in the development of therapeutically important small molecules for over three decades and theory behind the most important methods and recent successful applications are discussed.
Journal ArticleDOI
Cellular manganese content is developmentally regulated in human dopaminergic neurons
Kevin K. Kumar,Edward W. Lowe,Asad A. Aboud,M. Diana Neely,Rey Redha,Joshua A. Bauer,Mihir Odak,C. David Weaver,Jens Meiler,Michael Aschner,Aaron B. Bowman +10 more
TL;DR: This work demonstrates cell-level regulation of Mn content across neuronal differentiation, and reports differential Mn accumulation between developmental stages and stage-specific differences in the Mn-altering activity of individual small molecules.
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Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
Mariusz Butkiewicz,Edward W. Lowe,Ralf Mueller,Jeffrey L. Mendenhall,Pedro L. Teixeira,C. David Weaver,Jens Meiler +6 more
TL;DR: This work assembles nine data sets from realistic HTS campaigns representing major families of drug target proteins for benchmarking LB-CADD methods, and builds a new cheminformatics framework BCL::ChemInfo, which is freely available for non-commercial use.
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Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery
TL;DR: Recent discoveries of novel inhibitors and their co-crystal structure with the DDR1 kinase domain have made structure-based drug discovery for DDR1 amenable, and several established inhibitors, such as imatinib, dasatinib and nilotinib, have been found to inhibit DDR kinase activity.
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Reconstruction of saxs profiles from protein structures
TL;DR: This work discusses computational methods based on the Debye equation and Spherical Harmonics to compute intensity profiles from a particular macromolecular structure and introduces the solution to compute SAXS profiles utilizing GPU acceleration.