User profiles for Edward W. Lowe

Edward Lowe

Verified email at vanderbilt.edu
Cited by 2571

Computational methods in drug discovery

G Sliwoski, S Kothiwale, J Meiler, EW Lowe - Pharmacological reviews, 2014 - ASPET
Computer-aided drug discovery/design methods have played a major role in the development
of therapeutically important small molecules for over three decades. These methods are …

[HTML][HTML] Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database

M Butkiewicz, EW Lowe Jr, R Mueller, JL Mendenhall… - Molecules, 2013 - mdpi.com
With the rapidly increasing availability of High-Throughput Screening (HTS) data in the public
domain, such as the PubChem database, methods for ligand-based computer-aided drug …

Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery

S Kothiwale, CM Borza, EW Lowe Jr, A Pozzi… - Drug discovery today, 2015 - Elsevier
Highlights • DDR1 is a potential therapeutic target as it is implicated in organ fibrosis and
several cancers. • DDR1 has a characteristic kinase domain containing several functionally …

[HTML][HTML] Cellular manganese content is developmentally regulated in human dopaminergic neurons

KK Kumar, EW Lowe Jr, AA Aboud, MD Neely… - Scientific reports, 2014 - nature.com
Manganese (Mn) is both an essential biological cofactor and neurotoxicant. Disruption of Mn
biology in the basal ganglia has been implicated in the pathogenesis of neurodegenerative …

[HTML][HTML] Reconstruction of SAXS profiles from protein structures

DK Putnam, EW Lowe Jr, J Meiler - Computational and structural …, 2013 - Elsevier
Small angle X-ray scattering (SAXS) is used for low resolution structural characterization of
proteins often in combination with other experimental techniques. After briefly reviewing the …

[HTML][HTML] Introduction to the BioChemical Library (BCL): An application-based open-source toolkit for integrated cheminformatics and machine learning in computer …

…, S Kothiwale, M Butkiewicz, EW Lowe… - Frontiers in …, 2022 - frontiersin.org
The BioChemical Library (BCL) cheminformatics toolkit is an application-based academic
open-source software package designed to integrate traditional small molecule …

[HTML][HTML] High-throughput screening assay datasets from the pubchem database

…, Y Wang, SH Bryant, EW Lowe Jr… - Chemical informatics …, 2017 - ncbi.nlm.nih.gov
Availability of high-throughput screening (HTS) data in the public domain offers great
potential to foster development of ligand-based computer-aided drug discovery (LB-CADD) …

Mechanistic studies of the tyrosinase-catalyzed oxidative cyclocondensation of 2-aminophenol to 2-aminophenoxazin-3-one

…, J Maxwell, J Stevenson, G Malone, EW Lowe Jr… - Archives of biochemistry …, 2015 - Elsevier
Tyrosinase (EC 1.14.18.1) catalyzes the monophenolase and diphenolase reaction associated
with vertebrate pigmentation and fruit/vegetable browning. Tyrosinase is an oxygen-…

BCL:: SAXS: GPU accelerated D ebye method for computation of small angle X‐ray scattering profiles

…, BE Weiner, N Woetzel, EW Lowe Jr… - Proteins: Structure …, 2015 - Wiley Online Library
Small angle X‐ray scattering (SAXS) is an experimental technique used for structural
characterization of macromolecules in solution. Here, we introduce BCL::SAXS—an algorithm …

Evidence for substrate preorganization in the peptidylglycine α-amidating monooxygenase reaction describing the contribution of ground state structure to hydrogen …

NR McIntyre, EW Lowe Jr, JL Belof… - Journal of the …, 2010 - ACS Publications
Peptidylglycine α-amidating monooxygenase (PAM) is a bifunctional enzyme which
catalyzes the post-translational modification of inactive C-terminal glycine-extended peptide …