Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Martin Kotev"'
Autor:
Landys Lopez Quezada, Sandra Silve, Mark Kelinske, Amir Liba, Constantino Diaz Gonzalez, Martin Kotev, Laurent Goullieux, Stephanie Sans, Christine Roubert, Sophie Lagrange, Eric Bacqué, Cedric Couturier, Alain Pellet, Isabelle Blanc, Marlène Ferron, Fabrice Debu, Kelin Li, Jeffrey Aubé, Julia Roberts, David Little, Yan Ling, Jun Zhang, Ben Gold, Carl Nathan
Publikováno v:
mBio, Vol 10, Iss 4 (2019)
ABSTRACT A defining characteristic of treating tuberculosis is the need for prolonged administration of multiple drugs. This may be due in part to subpopulations of slowly replicating or nonreplicating Mycobacterium tuberculosis bacilli exhibiting ph
Externí odkaz:
https://doaj.org/article/36d78fae9ed74d22a77a85998cdfb018
Publikováno v:
Journal of Computer-Aided Molecular Design. 35:1195-1206
Structure-based virtual screening plays a significant role in drug-discovery. The method virtually docks millions of compounds from corporate or public libraries into a binding site of a disease-related protein structure, allowing for the selection o
Publikováno v:
Methods in molecular biology (Clifton, N.J.). 2114
Quantum mechanics (QM) methods provide a fine description of receptor-ligand interactions and of chemical reactions. Their use in drug design and drug discovery is increasing, especially for complex systems including metal ions in the binding sites,
Publikováno v:
Methods in Molecular Biology ISBN: 9781071602812
Quantum mechanics (QM) methods provide a fine description of receptor-ligand interactions and of chemical reactions. Their use in drug design and drug discovery is increasing, especially for complex systems including metal ions in the binding sites,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e15b7733352459865fd19eb9ac4dbe2e
https://doi.org/10.1007/978-1-0716-0282-9_15
https://doi.org/10.1007/978-1-0716-0282-9_15
Publikováno v:
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
Recercat. Dipósit de la Recerca de Catalunya
instname
Universitat Politècnica de Catalunya (UPC)
Recercat. Dipósit de la Recerca de Catalunya
instname
Cryo-electron microscopy (cryo-EM) is emerging as a real alternative for structural elucidation. In spite of this, very few cryo-EM structures have been described so far as successful platforms for in silico drug design. Gabapentin and pregabalin are
Autor:
Amir Liba, Jeffrey Aubé, Yan Ling, Eric Bacqué, Constantino Diaz Gonzalez, Fabrice Debu, David Little, Kelin Li, Landys Lopez Quezada, Stéphanie Sans, Julia Roberts, Isabelle Le Blanc, Cedric Couturier, Alain Pellet, Sophie Lagrange, Laurent Goullieux, Sandra Silve, Mark Lee Kelinske, Ben Gold, Carl Nathan, Marlène Ferron, Martin Kotev, Christine Roubert, Jun Zhang
Publikováno v:
mBio, Vol 10, Iss 4, p e01405-19 (2019)
mBio, Vol 10, Iss 4 (2019)
mBio
mBio, Vol 10, Iss 4 (2019)
mBio
Antimycobacterial agents might shorten the course of treatment by reducing the number of phenotypically tolerant bacteria if they could kill M. tuberculosis in diverse metabolic states. Here we report two chemically disparate classes of agents that k
Autor:
Victor Guallar, Abraham Lopez, Oscar Millet, Fátima Herranz-Trillo, Pau Bernadó, Ernest Giralt, Margarida Gairí, Teresa Tarragó, Martin Kotev
Publikováno v:
Recercat. Dipósit de la Recerca de Catalunya
instname
Dipòsit Digital de la UB
Universidad de Barcelona
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
instname
Dipòsit Digital de la UB
Universidad de Barcelona
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
Deciphering conformational dynamics is crucial for understanding the biological functions of proteins and for designing compounds targeting them. In particular, providing an accurate description of microsecond–millisecond motions opens the opportun
Publikováno v:
Journal of chemical information and modeling. 58(8)
Cryo-electron microscopy (cryo-EM) is emerging as a real alternative for structural elucidation. In spite of this, very few cryo-EM structures have been described so far as successful platforms for in silico drug design. Gabapentin and pregabalin are
Autor:
Victor Guallar, Pilar Manuel-Manresa, Roberto Quesada, Modesto Orozco, Ricardo Pérez-Tomás, Vanessa Soto-Cerrato, Elsa Hernando, Martin Kotev
Publikováno v:
Repositorio Institucional de la Universidad de Burgos (RIUBU)
instname
Dipòsit Digital de la UB
Universidad de Barcelona
instname
Dipòsit Digital de la UB
Universidad de Barcelona
Combining computational modeling, de novo compound synthesis, and in vitro and cellular assays, we have performed an inhibition study against the enhancer of zeste homolog 2 (EZH2) histone-lysine N-methyltransferase. This enzyme is an important catal
Publikováno v:
Recercat. Dipósit de la Recerca de Catalunya
instname
Dipòsit Digital de la UB
Universidad de Barcelona
Bioorganic & Medicinal Chemistry
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
instname
Dipòsit Digital de la UB
Universidad de Barcelona
Bioorganic & Medicinal Chemistry
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
After decades of work, the correct determination of the binding mode of a small molecule into a target protein is still a challenging problem, whose difficulty depends on: (i) the sizes of the binding site and the ligand; (ii) the flexibility of both
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85a50dd51525f965b5e0041c895570de
https://hdl.handle.net/2117/90906
https://hdl.handle.net/2117/90906