Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Edward W, Lowe"'
Autor:
Benjamin P. Brown, Oanh Vu, Alexander R. Geanes, Sandeepkumar Kothiwale, Mariusz Butkiewicz, Edward W. Lowe, Ralf Mueller, Richard Pape, Jeffrey Mendenhall, Jens Meiler
Publikováno v:
Frontiers in Pharmacology, Vol 13 (2022)
The BioChemical Library (BCL) cheminformatics toolkit is an application-based academic open-source software package designed to integrate traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/pro
Externí odkaz:
https://doaj.org/article/7998ee0a770449a7aa474d4430cc5bf3
Autor:
Mariusz Butkiewicz, Edward W. Lowe, Ralf Mueller, Jeffrey L. Mendenhall, Pedro L. Teixeira, C. David Weaver, Jens Meiler
Publikováno v:
Molecules, Vol 18, Iss 1, Pp 735-756 (2013)
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 discovery (LB-CADD) have the potential to accelerate and reduce the cost
Externí odkaz:
https://doaj.org/article/05810d011c6e4ec4840b7636bed37de9
Publikováno v:
Molecules, Vol 17, Iss 8, Pp 9971-9989 (2012)
Stereochemistry is an important determinant of a molecule’s biological activity. Stereoisomers can have different degrees of efficacy or even opposing effects when interacting with a target protein. Stereochemistry is a molecular property difficult
Externí odkaz:
https://doaj.org/article/280c7cf26d2c4b81899bfe1678ad70c1
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 8, Iss 11 (2013)
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 theory of SAXS we discuss computational methods based on 1) th
Externí odkaz:
https://doaj.org/article/8348fb4c0d294042a3c69867f8738a42
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 83:1500-1512
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 designed to replicate SAXS profiles from rigid protein models at differ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7045d0f4dbcf7388b2e14fb839070492
https://doi.org/10.1002/prot.24838
https://doi.org/10.1002/prot.24838
Autor:
Jamere Maxwell, Edward W. Lowe, Courtney A. Washington, Neil R. McIntyre, Joenathan Stevenson, Guangdi Wang, Gregory Malone, Qiang Zhang
Publikováno v:
Archives of Biochemistry and Biophysics. :24-34
Tyrosinase (EC 1.14.18.1) catalyzes the monophenolase and diphenolase reaction associated with vertebrate pigmentation and fruit/vegetable browning. Tyrosinase is an oxygen-dependent, dicopper enzyme that has three states: Emet, Eoxy, and Edeoxy. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8bbdc96df5ca71fe041c3f6bc80a5fb
https://doi.org/10.1016/j.abb.2015.04.007
https://doi.org/10.1016/j.abb.2015.04.007
Publikováno v:
Pharmacological Reviews. 66:334-395
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 broadly classified as either structure-based or ligand-based methods. Stru
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d2971f025fc44809dc174ddc43b01e5
https://doi.org/10.1124/pr.112.007336
https://doi.org/10.1124/pr.112.007336
Autor:
Edward W. Lowe, Gregory Sliwoski
Publikováno v:
In Silico Drug Discovery and Design. :22-32
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e52ff1dc187788985f482a4a2fbcdc34
https://doi.org/10.4155/ebo.13.335
https://doi.org/10.4155/ebo.13.335
Publikováno v:
Molecules; Volume 17; Issue 8; Pages: 9971-9989
Molecules, Vol 17, Iss 8, Pp 9971-9989 (2012)
Molecules, Vol 17, Iss 8, Pp 9971-9989 (2012)
Stereochemistry is an important determinant of a molecule’s biological activity. Stereoisomers can have different degrees of efficacy or even opposing effects when interacting with a target protein. Stereochemistry is a molecular property difficult
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9453fcce7b2d540582f431bfb3d72dd4
https://doi.org/10.3390/molecules17089971
https://doi.org/10.3390/molecules17089971
Autor:
David J. Merkler, Sumit Handa, Edward W. Lowe, Milena Ivkovic, Daniel R. Dempsey, Joshua H. Hilton
Publikováno v:
Archives of Biochemistry and Biophysics. 506:157-164
N-acylethanolamines (NAEs) are members of the fatty acid amide family. The NAEs have been proposed to serve as metabolic precursors to N-acylglycines (NAGs). The sequential oxidation of the NAEs by an alcohol dehydrogenase and an aldehyde dehydrogena
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dfbb96296e4a3587b9ce25b57218c402
https://doi.org/10.1016/j.abb.2010.12.002
https://doi.org/10.1016/j.abb.2010.12.002