Hugo Gutierrez-de-Teran 个人学术档案

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Johan ÅqvistProfessor of Theoretical Chemistry, Uppsala University在 xray.bmc.uu.se 的电子邮件经过验证
Eddy Sotelo, ORCID: 0000-0001-5571...Full Professor of Medicinal Chemistry, CIQUS, Santiago de Compostela University.在 usc.es 的电子邮件经过验证
Willem JespersLeiden University在 lacdr.leidenuniv.nl 的电子邮件经过验证
Xerardo García Mera, ORCID 0000-00...Catedrático de Química Orgánica (USC)在 usc.es 的电子邮件经过验证
Jhonny Alberto Azuaje GuerreroInvestigador Post-Doctoral, Universidad de Santiago de Compostela在 usc.es 的电子邮件经过验证
David Rodriguez DiazNovo Nordisk在 novonordisk.com 的电子邮件经过验证
Maria MajellaroCeltarys Research在 usc.es 的电子邮件经过验证
Laura HeitmanFull Professor of Molecular Pharmacology在 lacdr.leidenuniv.nl 的电子邮件经过验证
Mats LarhedProfessor in Medicinal Chemistry, Uppsala University在 ilk.uu.se 的电子邮件经过验证
Raymond StevensiHuman Institute, ShanghaiTech/Bridge Institute, USC在 usc.edu 的电子邮件经过验证
Prof. Gerard JP van WestenPI Computational Drug Discovery (Professor AI & Med Chem, Leiden University)在 gjpvanwesten.nl 的电子邮件经过验证
Rubén Prieto-DíazUniversity of Santiago de Compostela, Uppsala University在 usc.es 的电子邮件经过验证
Olga Caamaño SantosTitular Química Organica, Universidad de Santiago de Compostela在 usc.es 的电子邮件经过验证
Ana Mallo-Abreu, ORCID: 0000-0002-...Juan de la Cierva Research Fellow at Universitat de Barcelona在 ub.edu 的电子邮件经过验证
Vsevolod KatritchUniversity of Southern California在 usc.edu 的电子邮件经过验证
Carlos Carbajales orcid: 0000-0002-5...CIQUS Universidade de Santiago de Compostela PharmD.在 usc.es 的电子邮件经过验证
Sudarsana Reddy VangaPh.D. in Computational Biology在 kth.se 的电子邮件经过验证
Ana OliveiraAssistant Professor, Department of Chemistry and Biochemistry, Faculty of Sciences, University of在 fc.up.pt 的电子邮件经过验证
Manuel Pastor (ORCID: 0000-0001-88...Head of Pharmacoinformatics laboratory, University Pompeu Fabra在 upf.edu 的电子邮件经过验证
Dan LarhammarProfessor of Molecular Cell Biology, Uppsala University在 neuro.uu.se 的电子邮件经过验证

关注

Hugo Gutierrez-de-Teran

Associate Professor, Department of Cell and molecular biology, Uppsala University

在 icm.uu.se 的电子邮件经过验证 - 首页

molecular modeling G-protein-coupled receptors: computer-aided ligand design Free energy estimations


标题按引用次数排序按年份排序按标题排序	引用次数引用次数	年份
Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008 M Michino, E Abola, GPCR Dock 2008 Participants, CL Brooks III, ... Nature Reviews Drug Discovery 8 (6), 455-463, 2009	303	2009
Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges I Kufareva, V Katritch, PGD 2013, RC Stevens, R Abagyan Structure 22, 1120, 2014	183	2014
The role of a sodium ion binding site in the allosteric modulation of the A2A adenosine G protein-coupled receptor H Gutiérrez-de-Terán, A Massink, D Rodríguez, W Liu, GW Han, ... Structure 21 (12), 2175-2185, 2013	138	2013
GPCRmd uncovers the dynamics of the 3D-GPCRome I Rodríguez-Espigares, M Torrens-Fontanals, JKS Tiemann, ... Nature Methods 17, 777-787, 2020	114	2020
Linear Interaction Energy: Method and Applications in Drug Design H Gutiérrez-de-Terán, J Åqvist Methods in Molecular Biology - Computational Drug Discovery and Design 819 …, 2012	111	2012
Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level C Rodríguez-Rodríguez, A Rimola, L Rodríguez-Santiago, P Ugliengo, ... Chemical Communications 46 (7), 1156-1158, 2010	100	2010
Sodium ion binding pocket mutations and adenosine A2A receptor function A Massink, H Gutiérrez-de-Terán, EB Lenselink, NVO Zacarías, L Xia, ... Molecular pharmacology 87 (2), 305-313, 2015	97	2015
Structural mapping of adenosine receptor mutations: ligand binding and signaling mechanisms W Jespers, AC Schiedel, LH Heitman, RM Cooke, L Kleene, ... Trends in pharmacological sciences 39 (1), 75-89, 2018	83	2018
GPCR-ModSim: A comprehensive web based solution for modeling G-protein coupled receptors M Esguerra, A Siretskiy, X Bello, J Sallander, H Gutiérrez-de-Terán Nucleic Acids Research 44 (W1), W455-62, 2016	80	2016
Discovery of 3, 4-Dihydropyrimidin-2 (1 H)-ones As a Novel Class of Potent and Selective A2B Adenosine Receptor Antagonists A Crespo, A El Maatougui, P Biagini, J Azuaje, A Coelho, J Brea, MI Loza, ... ACS Medicinal Chemistry Letters 4 (11), 1031-1036, 2013	78	2013
Molecular dynamics simulations reveal insights into key structural elements of adenosine receptors D Rodríguez, A Piñeiro, H Gutiérrez-de-Terán Biochemistry 50 (19), 4194-4208, 2011	78	2011
A C-terminal mutation of ATP1A3 underscores the crucial role of sodium affinity in the pathophysiology of rapid-onset dystonia-parkinsonism P Blanco-Arias, AP Einholm, H Mamsa, C Concheiro, ... Human molecular genetics 18 (13), 2370-2377, 2009	78	2009
Computational prediction of alanine scanning and ligand binding energetics in G-protein coupled receptors L Boukharta, H Gutiérrez-de-Terán, J Åqvist PLoS computational biology 10 (4), e1003585, 2014	75	2014
Pyrimidine Derivatives as Potent and Selective A₃ Adenosine Receptor Antagonists V Yaziji, D Rodriguez, H Gutiérrez-de-Terán, A Coelho, O Caamano, ... Journal of medicinal chemistry 54 (2), 457-471, 2011	74	2011
Discovery of Potent and Highly Selective A_2B Adenosine Receptor Antagonist Chemotypes A El Maatougui, J Azuaje, M Gonzalez-Gomez, G Miguez, A Crespo, ... Journal of medicinal chemistry 59 (5), 1967-1983, 2016	71	2016
Computational inhibitor design against malaria plasmepsins S Bjelic, M Nervall, H Gutiérrez-de-Terán, K Ersmark, A Hallberg, J Åqvist Cellular and Molecular Life Sciences 64 (17), 2285-2305, 2007	68	2007
QligFEP: an automated workflow for small molecule free energy calculations in Q W Jespers, M Esguerra, J Åqvist, H Gutiérrez-de-Terán Journal of cheminformatics 11 (1), 26, 2019	60	2019
Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A₁, A_2A, A_2B, and A₃ receptor antagonists F Sirci, L Goracci, D Rodríguez, J van Muijlwijk-Koezen, ... Journal of computer-aided molecular design 26, 1247-1266, 2012	60	2012
Structural and Energetic Effects of A_2A Adenosine Receptor Mutations on Agonist and Antagonist Binding H Keränen, H Gutiérrez-de-Terán, J Åqvist PloS one 9 (10), e108492, 2014	58	2014
Molecular modelling of G protein‐coupled receptors through the web D Rodríguez, X Bello, H Gutiérrez‐de‐Terán Molecular Informatics 31 (5), 334-341, 2012	51	2012

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