Pàgina inicial > Resultats de la cerca: Docking
  Consells de cerca
Cerca avançada
Cerca col·leccions:
Ordena'ls per: Mostrar els resultats: Format de visualizació:
Resultats globals: 20 registres trobats en 0.02 segons.
Articles, 19 registres trobats
Documents de recerca, 1 registres trobats
Articles 19 registres trobats  1 - 10següent  anar al registre:
1.
10 p, 2.8 MB Functional consequences of Genetics variant in TMC1 and TMC2 within a United Arab Emirates family with Pre-lingual hearing loss / Mutery, Abdullah (University of Sharjah. Department of Applied Biology) ; Mohamed, Kamal Eldin Walaa (Universitat Autònoma de Barcelona. Departament de Genètica i de Microbiologia) ; Mahfood, Mona (University of Sharjah. Department of Applied Biology) ; Chouchen, Jihen (University of Sharjah) ; Tlili, Abdelaziz (University of Sharjah. Research Institute of Sciences & Engineering)
Hearing loss (HL) is the most prevalent sensory disorder whose etiology comes from environmental and/or genetic factors. Approximately 60 % of HL cases are due to mutations in genes responsible for maintaining a normal hearing function. [...]
2023 - 10.1016/j.sjbs.2022.103520
Saudi Journal of Biological Sciences, Vol. 30, Issue 2 (February 2023) , art. 103520  
Registre complet - Creative Commons
2.
43 p, 2.5 MB Validation and Applications of Protein-Ligand Docking Approaches Improved for Metalloligands with Multiple Vacant Sites / Sciortino, Giuseppe (Universitat Autònoma de Barcelona. Departament de Química) ; Garribba, Eugenio (Università di Sassari. Dipartimento di Chimica e Farmacia) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química)
Decoding the interaction between coordination compounds and proteins is of fundamental importance in biology, pharmacy, and medicine. In this context, protein-ligand docking represents a particularly interesting asset to predict how small compounds could interact with biomolecules, but to date, very little information is available to adapt these methodologies to metal-containing ligands. [...]
2019 - 10.1021/acs.inorgchem.8b02374
Inorganic chemistry, Vol. 58, Issue 1 (January 2019) , p. 294-306  
Registre complet -
3.
27 p, 1.8 MB Prediction of the interaction of metallic moieties with proteins : An update for protein-ligand docking techniques / Sciortino, Giuseppe (Universitat Autònoma de Barcelona. Departament de Química) ; Rodríguez-Guerra Pedregal, Jaime (Universitat Autònoma de Barcelona. Departament de Química) ; Lledós, Agustí (Universitat Autònoma de Barcelona. Departament de Química) ; Garribba, Eugenio (Università di Sassari. Dipartimento di Chimica e Farmacia) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química)
In this article, we present a new approach to expand the range of application of protein-ligand docking methods in the prediction of the interaction of coordination complexes (i. e. , metallodrugs, natural and artificial cofactors, etc. [...]
2018 - 10.1002/jcc.25080
Journal of Computational Chemistry, Vol. 39, Issue 1 (January 2018) , p. 42-51  
Registre complet -
4.
12 p, 3.0 MB Computational assessment of the impact of Cu(II) and Al(III) on β-amyloid fibrils : Binding sites, structural stability, and possible physiological implications / Roldán-Martín, Lorena (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química)
One of Alzheimer's disease major hallmarks is the aggregation of β-amyloid peptide, a process in which metal ions play an important role. In the present work, an integrative computational study has been performed to identify the metal-binding regions and determine the conformational impact of Cu(II) and Al(III) ion binding to the β-amyloid (Aβ) fibrillary structure. [...]
2023 - 10.3389/fnins.2023.1110311
Frontiers in Neuroscience, Vol. 17 (February 2023) , art. 1110311  
Registre complet - Creative Commons
5.
14 p, 12.6 MB Rational Design of Hydrogels for Cationic Antimicrobial Peptide Delivery : A Molecular Modeling Approach / Pereira, Alfredo (Universidad de Chile) ; Valdés-Muñoz, Elizabeth (Universidad Católica del Maule) ; Marican, Adolfo (Universidad de Talca) ; Cabrera-Barjas, Gustavo (Universidad de Concepción) ; Vijayakumar, Sekar (Shandong University) ; Valdés, Oscar (Universidad Católica del Maule) ; Rafael, Diana (Hospital Universitari Vall d'Hebron. Institut de Recerca) ; Andrade, Fernanda (Universitat de Barcelona. Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica) ; Abaca, Paulina (Universidad de Talca. Instituto Ciencias Biologicas) ; Bustos, Daniel (Universidad Católica del Maule) ; Durán-Lara, Esteban F. (Universidad de Talca) ; Universitat Autònoma de Barcelona
In light of the growing bacterial resistance to antibiotics and in the absence of the development of new antimicrobial agents, numerous antimicrobial delivery systems over the past decades have been developed with the aim to provide new alternatives to the antimicrobial treatment of infections. [...]
2023 - 10.3390/pharmaceutics15020474
Pharmaceutics, Vol. 15 (january 2023)  
Registre complet - Creative Commons
6.
12 p, 4.3 MB Influence of Association on Binding of Disaccharides to YKL-39 and hHyal-1 Enzymes / Krzemińska, Agnieszka (Lodz University of Technology) ; Sánchez-Aparicio, José-Emilio (Universitat Autònoma de Barcelona. Departament de Química) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química) ; Paneth, Agata (Medical University of Lublin) ; Paneth, Piotr (Lodz University of Technology)
Disaccharide complexes have been shown experimentally to be useful for drug delivery or as an antifouling surface biofilm, and are promising drug-encapsulation and delivery candidates. Although such complexes are intended for medical applications, to date no studies at the molecular level have been devoted to the influence of complexation on the enzymatic decomposition of polysaccharides. [...]
2022 - 10.3390/ijms23147705
International journal of molecular sciences, Vol. 23 Núm. 14 (july 2022) , p. 7705  
Registre complet - Creative Commons
7.
19 p, 6.6 MB Design and synthesis of a novel non peptide CN-NFATc signaling inhibitor for tumor suppression in triple negative breast cancer / Sánchez-Morales, Adrià (Universitat Autònoma de Barcelona. Departament de Química) ; Biçer, Atilla (Institut d'Investigació Biomèdica de Bellvitge) ; Panagiotopoulos, Vasilis (University of West Attica. Department of Biomedical Engineering) ; Crecente-Garcia, Selma (Universitat Autònoma de Barcelona. Departament de Química) ; Benaiges Miñarro, Cristina (Universitat Autònoma de Barcelona. Departament de Química) ; Bayod, Sergi (Parc Científic de Barcelona) ; Hernández, José Luís (Parc Científic de Barcelona) ; Busqué Sánchez, Félix (Universitat Autònoma de Barcelona. Departament de Química) ; Matsoukas, Minos-Timotheos (University of West Attica. Department of Biomedical Engineering) ; Pérez-Riba, Mercè (Institut d'Investigació Biomèdica de Bellvitge) ; Alibes, Ramón (Universitat Autònoma de Barcelona. Departament de Química)
The Ca2/calmodulin-mediated phosphatase activity of calcineurin (CN) integrates calcium-mediated signaling with gene expression programs involved in the control of essential cellular processes in health and disease, such as the immune response and the pathogenesis of cancer progression and metastasis. [...]
2022 - 10.1016/j.ejmech.2022.114514
European Journal of Medicinal Chemistry, Vol. 238 (August 2022) , art. 114514  
Registre complet - Creative Commons
8.
10 p, 3.4 MB Rational design of small molecules able to inhibit α-synuclein amyloid aggregation for the treatment of Parkinson's disease / Vittorio, Serena (Università degli Studi di Messina Viale Palatucci. Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche e Ambientali) ; Adornato, Ilenia (Università degli Studi di Messina Viale Palatucci. Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche e Ambientali) ; Gitto, Rosaria (Università degli Studi di Messina Viale Palatucci. Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche e Ambientali) ; Peña Díaz, Samuel (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí") ; Ventura, Salvador (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí") ; De Luca, Laura (Università degli Studi di Messina Viale Palatucci. Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche e Ambientali) ; Universitat Autònoma de Barcelona. Departament de Bioquímica i de Biologia Molecular
Parkinson's disease is one of the most common neurodegenerative disorders in elderly age. One of the mechanisms involved in the neurodegeneration appears related to the aggregation of the presynaptic protein alpha synuclein (α-syn) into toxic oligomers and fibrils. [...]
2020 - 10.1080/14756366.2020.1816999
Journal of Enzyme Inhibition and Medicinal Chemistry, Vol. 35, Issue 1 (September 2020) , p. 1727-1735  
Registre complet - Creative Commons
9.
23 p, 2.1 MB Graphene-based hybrid for enantioselective sensing applications / Zor, Erhan (Institut Català de Nanociència i Nanotecnologia) ; Morales-Narváez, Eden (Institut Català de Nanociència i Nanotecnologia) ; Alpaydin, Sabri (Necmettin Erbakan University. Department of Chemistry) ; Bingol, Haluk (Necmettin Erbakan University. Department of Chemistry) ; Ersoz, Mustafa (Selcuk University) ; Merkoçi, Arben (Institut Català de Nanociència i Nanotecnologia)
Chirality is a major field of research of chemical biology and is essential in pharmacology. Accordingly, approaches for distinguishing between different chiral forms of a compound are of great interest. [...]
2017 - 10.1016/j.bios.2016.08.074
Biosensors & bioelectronics, Vol. 87 (January 2017) , p. 410-416  
Registre complet - Creative Commons
10.
29 p, 9.5 MB Substrate specificity of human metallocarboxypeptidase D : comparison of the two active carboxypeptidase domains / Garcia-Pardo, Javier (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí") ; Tanco, Sebastián Martín (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí") ; Díaz, Lucía (Barcelona Supercomputing Center) ; Dasgupta, Sayani (Albert Einstein College of Medicine. Department of Molecular Pharmacology) ; Fernández-Recio, Juan (Barcelona Supercomputing Center) ; Lorenzo Rivera, Julia (Universitat Autònoma de Barcelona. Departament de Bioquímica i de Biologia Molecular) ; Avilés, Francesc X. (Francesc Xavier) (Universitat Autònoma de Barcelona. Departament de Bioquímica i de Biologia Molecular) ; Fricker, Lloyd D. (Albert Einstein College of Medicine. Department of Molecular Pharmacology)
Metallocarboxypeptidase D (CPD) is a membrane-bound component of the trans-Golgi network that cycles to the cell surface through exocytic and endocytic pathways. Unlike other members of the metallocarboxypeptidase family, CPD is a multicatalytic enzyme with three carboxypeptidase-like domains, although only the first two domains are predicted to be enzymatically active. [...]
2017 - 10.1371/journal.pone.0187778
PloS one, Vol. 12 issue 11 (2017) , art. e0187778  
Registre complet - Creative Commons

Articles : 19 registres trobats   1 - 10següent  anar al registre:
Documents de recerca 1 registres trobats  
1.
8 p, 1020.8 KB Programación de comportamientos de un robot autónomo / Vivet Moral, Gerard ; Toledo Morales, Ricardo, dir. (Universitat Autònoma de Barcelona. Departament de Ciències de la Computació) ; Universitat Autònoma de Barcelona. Escola d'Enginyeria
El propósito de este proyecto, es lograr un mayor grado de autonomía de los comportamientos de un robot. Para incrementar la autonomía, necesitamos supervisar las baterías del robot, parar su estado actual, volver a la estación de carga y acoplarse cuando sea necesario. [...]
The purpose of this Project is to achieve a greater degree of automation of robot behaviours. In order to increase the autonomy, we need to supervise the battery power, stop its actual state, back to the charging station and docking to it when necessary. [...]
El propòsit d'aquest projecte, és aconseguir un major grau d'autonomia dels comportaments d'un robot autònom. Per incrementar l'autonomia, necessitem supervisar les bateries del robot, parar el seu estat actual, tornar a l'estació de càrrega i encaixar-se quan sigui necessari. [...]
2016-02-15
Enginyeria Informàtica [958]  
Registre complet - Creative Commons

Us interessa rebre alertes sobre nous resultats d'aquesta cerca?
Definiu una alerta personal via correu electrònic o subscribiu-vos al canal RSS.
Dipòsit Digital de Documents de la UAB :: Cerca :: Lliura :: Personalitza :: Ajuda
Powered by Invenio v1.1.6
Mantingut per ddd.bib@uab.cat  :: Metadades subjectes a:
Col·laborem