Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Eugene Raush"'
Publikováno v:
PLoS ONE, Vol 4, Iss 10, p e7394 (2009)
Externí odkaz:
https://doaj.org/article/356b14a864804c08a43157b62af9a127
Graph-Convolutional Neural Net Model of the Statistical Torsion Profiles for Small Organic Molecules
Publikováno v:
Journal of Chemical Information and Modeling. 62:5896-5906
We present a graph-convolutional neural network (GCNN)-based method for learning and prediction of statistical torsional profiles (STP) in small organic molecules based on the experimental X-ray structure data. A specialized GCNN torsion profile mode
Publikováno v:
PLoS ONE, Vol 4, Iss 10, p e7394 (2009)
PLoS ONE
PLoS ONE
The common approach to electronic publishing three-dimensional biological data in peer-reviewed journals or for disseminating such data within the scientific community has historically required the writing of a two dimensional flat and non-interactiv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42a8d2dd0db675046030b42a4214f742
https://ora.ox.ac.uk/objects/uuid:e0d9827c-af5c-44ec-8857-b4810a211526
https://ora.ox.ac.uk/objects/uuid:e0d9827c-af5c-44ec-8857-b4810a211526
Autor:
Eugene Raush, Vladimir Tseitin, Ruben Abagyan, Vsevolod Katritch, Chelsea M. Byrd, Maxim Totrov, Robert Jordan, Dennis E. Hruby, Dongcheng Dai
Publikováno v:
Journal of Computer-Aided Molecular Design
Essential for viral replication and highly conserved among poxviridae, the vaccinia virus I7L ubiquitin-like proteinase (ULP) is an attractive target for development of smallpox antiviral drugs. At the same time, the I7L proteinase exemplifies severa
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 67:400-417
Recent advances in structural proteomics call for development of fast and reliable automatic methods for prediction of functional surfaces of proteins with known three-dimensional structure, including binding sites for known and unknown protein partn
Autor:
Mitsunori Kato, Maxim Totrov, Richard A. Lewis, Peter Gedeck, Scott A. Biller, Eric J. Martin, Lewis Whitehead, Brian Edward Vash, Clayton Springer, Katrin Spiegel, Donovan N. Chin, John H. Van Drie, Tommasi Ruben A, Yongjin Xu, Takanori Kanazawa, Peter Hunt, Valery Polyakov, Christoph L. Buenemann, Mika Lindvall, Nikolaus Stiefl, Eugene Raush, Ruben Abagyan
Publikováno v:
Journal of chemical information and modeling. 55(4)
Communication of data and ideas within a medicinal chemistry project on a global as well as local level is a crucial aspect in the drug design cycle. Over a time frame of eight years, we built and optimized FOCUS, a platform to produce, visualize, an
Autor:
Christin Bissig, Ruben Abagyan, Pooja Sridhar, Marc Lenoir, Irina Kufareva, Felician Dancea, Michael Overduin, Eugene Raush, Jean Gruenberg
Publikováno v:
Biochemistry and cell biology = Biochimie et biologie cellulaire
Biochemistry and cell biology = Biochimie et biologie cellulaire, vol 92, iss 6
Biochemistry and cell biology = Biochimie et biologie cellulaire, vol 92, iss 6
The function of a protein is determined by its intrinsic activity in the context of its subcellular distribution. Membranes localize proteins within cellular compartments and govern their specific activities. Discovering such membrane-protein interac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7bcbfb335f5c7556d57e5af40452d273
https://europepmc.org/articles/PMC4267288/
https://europepmc.org/articles/PMC4267288/
Autor:
Eugene Raush, Brian D. Marsden, Ruben Abagyan, Wyatt W. Yue, Wen Hwa Lee, Udo Oppermann, Maxim Totrov
Publikováno v:
Journal of inherited metabolic disease. 34(3)
Since its inception, researchers in structural biology have reported detailed molecular models of macromolecules involved in the functioning of the human body. This wealth of information has provided a better understanding of the molecular mechanisms
Autor:
Eugene Raush, Michael Sundström, Maxim Totrov, Wen Hwa Lee, Brian D. Marsden, Levon Budagyan, Ruben Abagyan
Publikováno v:
Trends in biochemical sciences. 31(2)
Providing an approachable and intuitive integrated tool for the understanding of 3D information of proteins in the context of structure–function relationships to a diverse scientific audience outside structural biology, such as medicinal chemists,
Publikováno v:
Bioinformatics. 26:2784-2785
Summary: SimiCon is a web server designed for an automated identification of equivalent protein–ligand atomic contacts in different conformational models of a complex. The contacts are computed with internal coordinate mechanics (ICM) software with