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PERSONAL DATA:
Date and place of born: Oviedo (Spain), 17 of august 1976.
Post adress:
Telephone numbers: +34 881813873 (office) and +34 650241203 (mobile)
e-mail adress: hugo.teran@usc.es (work) and hugogdt@gmail.com (personal)
ACADEMIC DATA:
Education:
- PhD on Experimental and Health Sciences. Pompeu Fabra University (UPF) (Spain). 2004.
- DEA (Advanced studies diploma) on Experimental and Health Sciences. Pompeu Fabra University (UPF) (Spain). 2003.
- M.Sc. on Pharmacy, University of Santiago de Compostela (USC), Spain. 1999
Profesional experience
- Principal Scientist (Parga Pondal Research Fellow), Fundación Pública Galega de Medicina Xenómica (FPGMX), Hospital Clínico Universitario de Santiago de Compostela (Spain). January 2008 - present.(http://medicina.xenomica.org)
Role of Principal investigator I currently head the Structural Bioinformatics lan, composed by 3 people. I am PI of several founded research projects.
- Manager, data mining, BioFarma Group /USEF Plattform UInstituto de Farmacia Industrial / Research group Biofarma, University of Santiago de Compostela (Spain). September 2006 - December 2007.(http://www.usc.es/biofarma/)
Working on the project: Genius Pharma, AIE (funded by the Spanish Ministry of Industry). Responsible of data mining and data analysis of the HTS unit of the University of Santiago de Compostela.
- Postdoctoral researcher, Institute of Cell and Molecular Biology, Uppsala University (UU) (Sweden). June 2004- September 2006. (http://xray.bmc.uu.se/~aqwww/)
Working on the project: Rational Approaches to Pathogen Inhibitor Discovery-RAPID (funded by the Swedish Foundation for Strategic Research, SSF). This was a multidisciplinar drug design project devoted to the neglected diseases: malaria and tuberculosis. Assisted in the design of novel ligands of malarial aspartic proteases.
- Predoctoral researcher, Research Group on Biomedical Informatics, Pompeu Fabra University, Barcelona (Spain). 1999-2004. (http://grib.imim.es/)
PhD Thesis project: Molecular Modeling of Adenosine Receptors and Their Ligands in the Framework of Computer Aided Drug Design.
Supervisor: Ferran Sanz.
Working on several founded projects. The main topics covered in this period were: homology modeling of G-protein coupled receptors, protein-ligand binding studies and methods development (ligand-based virtual screening, molecular diversity sampling of chemical databases).
- Predoctoral stay. Departament of Molecular and Cell Biology, Upsala University, Sweden. September-November 2002.
Project: Computational Binding on Adenosine Receptors.
Supervisor: Johan Åqvist
First research stay in the computational chemistry group of Prof. Åqvist, currently frequent collaborator.
- Undergraduate researcher. Department of Organic Chemistry, University of Santiago de Compostela (Spain). 1998-1999
M.Sc Thesis project: Conformationally Restricted Butitophenones as Potencially Atipical Antipsicotics. Synthesis of 4-oxo-4,5,6,7-tetrahydroindols from 4-oxo-4,5,6,7-tetrahydrobenzofuranes.
Supervisors: Enrique Raviña and Christian F. Masaguer.
Gained experience in synthetic medicinal chemistry.
- Chemist in practice. Pharmacy "Lema Pintos", Santiago de Compostela (Spain). March - August 1999.
Supervisor: Mrs. M.L. Lema Pintos.
Teaching experience
- Phd thesis supervisor, Universidade de Santiago de Compostela - FPGMX. (2008-2011).
Project: Computational Study of GPCRs involved in Psychiatric and Neurological Disorders. Structural study of Mutations and Novel Strategies for Virtual Screening.
Student: David Rodríguez Díaz.
- Master's thesis supervisor, Universidade de Santiago de Compostela - FPGMX. (2007-2009).
Project: Application of computational techniques to GPCR drug design.
Student: David Rodríguez Díaz.
Defended on 30th june 2009
- Master's thesis supervisor, M.Sc. Neurosciences, Universidade Santiago de Compostela (academic sourse 2008-2009)
Project: Molecular Modeling of GPCRs Heterodimerization: Study of the A
/D
Heterodimer.
Student: Carlos Vara Sanchez.
Defended on 22th july 2009
- Master's thesis supervisor, M.Sc. Bioinformatics, International University of Andalucía (UNIA) (2009-2010)
Project: Structural Analysis of HIV-1 Integrase: Towards the Design of New Inhibitors.
Student: José Correa Barsuto.
- Coordinator and teacher, ``Course on Structural Bioinformatics: Modeling and Simulation of Biological Molecules'', Universidade Santiago de Compostela. 2 anual editions (1-4 December 2008 / 30 November-3 December 2009).
- Teacher, M.Sc. Neurosciences, Universidade Santiago de Compostela. Editions 2007, 2008 and 2009.
Course: Introduction to Bioinformatics.
- Teacher, Summer Course on Bioinformatics, Universidade Santiago de Compostela. Editions 2008 and 2009
Items: Introduction to Structural Bioinformatics and Computer Aided Drug Design.
- Invited teacher, M.Sc. Bioinformatics for Health Sciences, Pompeu Fabra University (Barcelona). 1st Eddition, April 2005
Course: Computer Assisted Drug Design (lab sessions).
Referee in the master degree candidate's evaluation. 3rd and 4th editions of the M.Sc., 2007 and 2008.
- Teacher, Uppsala University. Winter 2005.
Course: Molecular and Statistical Mechanics (lab sessions).
Research projects
I am principal investigator in two founded research grants, with a total budget of 163.000 EURO. Additionally, I participated in other 9 founded research projects:
- Elucidation of GPCR structures and interactions with their ligands:Applications to structure-based drug design.
Funding: Spanish Ministry of Science and Innovation (MICINN) period 2012-2013
PI: Hugo Gutiérrez de Terán
Role: Principal Investigator (80.000 EURO Funding)
- A Structural Bioinformatics plataform for the study of GPCRs: Applications the study of mutations and novel approaches for virtual screening.
Funding: Xunta de Galicia (Autonomous Governmnet) period 2009-2011
PI: Hugo Gutiérrez de Terán
Role: Principal Investigator (88.300 EURO Funding)
- DIANA programme of Pharmacogenetics:
Funding: Fundación Barrié de la Maza, 2008-2010
Role: Senior researcher (full period). Subproject: Study of the response to antipsychotic tratment and appearance of side effects in psychotic patients.
- ComBioMed Network
Funding: Spanish Ministry of Health (ISCIII, RETICS programme). Starting in 2007
PI (Coordinator):Fernando Martín (ISCIII)
Role: member of the network (2007-2008)
- Hit and Lead Generation from an original chemical library through virtual screening and high throughput screening
Funding:Xunta de Galicia (Autonomous goverment), period 2007-2010
PI: Maria Isabel Cadavid Torres (USC)
Role: Assistant researcher (2007-2008).
- Galicial Bioinformatics Network
Fiunding: Xunta de Galicia (Autonomous goverment), period 2007-2009
PI: Alejandro Pazos Sierra (UC)
Role: Coordinator of infrastructures of the network (full period)
- Galicial Drug Design Network
Funding: Xunta de Galicia (Autonomous goverment), period 2007-2009
PI: Maria Isabel Loza (USC)
Role: member of the network (full period)
- GENIUS Pharma, AIE
Funding: Spanish Ministry of Industry, Laboratotios Almirall Prodesfarma, Laboratorios Esteve. Period 2006-2009.
PIs: Maria Isabel Loza, Maria Isabel Cadavid (USC)
Role: Responsible of data mining (2007-2008)
- Rational Approaches to Pathogen Inhibitor Discovery (RAPID)
Funding: Swedish Fundation for Strategic Research (SSF). Period: 2003-2008
PI: Alwyn Jones (UU)
Role: Postdoctoral researcher (2004-2006)
- Development of methods and software for the analysis of the tree-dimensional similarity between molecules with biological relevance.
Funding: Spanish Ministry of Health (FIS). Period: 2001-2003
PI: Ferran Sanz Carreras (UPF)
Role: Predoctoral researcher (full period)
- New mechanisms of action in antiallergic therapeutics. CDesign, synthesis and pharmachology of new molecules with dualactivity H1/NK1.
Funding: CICYT (Spanish Science & Technology Comitee). Period: 1998-2001
PI: Ferran Sanz Carreras (UPF)
Role: Predoctoral researcher (1999-2001)
Scientific Publications:
This section includes the full list of scientific publications, which includes 25 original research articles, plus one review and two book chapters. Conference Proceedings are depicted in the section ``Conferences''; Some bibliometric indicators are:
- 8 first authorships
- 3 corresponding authorships
- H-index = 8
- more than 175 accumulated citations
- Pazos, E.; Pérez, M.; Gutiérrez-de-Terán, H..; Orzáez, M.; Guevara, T.; Mascareñas, J.L.; Vázquez, M.E. Rational design of a cyclin A fluorescent peptide sensor. Org. Biomol. Chem. (2011), 9:7629-7632.
- Fällmar, H.; Åkerberg, H.; Gutiérrez-de-Terán, H..; Lundell, I.; Mohell, N.; Larhammar, D. Identification of positions in the human neuropeptide Y/peptide YY receptor Y2 that contribute to pharmacological differences between receptor subtypes. Neuropeptides (2011), 45:293-300.
- Rodríguez, D.; Piñeiro, A; Gutiérrez-de-Terán, H.* (* corresponding author) Molecular dynamics simulations reveal insights into adenosine receptors conformational states. Biochemistry (2011), 50:4194-4208.
- Díaz-Bueno, L.; Bujons, J.; Delgado, A.; Gutiérrez-de-Terán, H.*; Åqvist, J.* (* corresponding author) Computational Prediction of Structure-Activity Relationships for the Binding of Aminocyclitols to beta-Glucocerebrosidase. J. Chem. Inf. Model. (2011) 51:601-611.
- Yaziji, V.; Rodríguez, D.; Gutiérrez-de-Terán, H.*; Coelho, A.; Caamaño, O.; García-Mera, X.; Brea, J.; Loza, M.I.; Cadavid, M.I.*; Sotelo, E.* (* corresponding author) Pyrimidine Derivatives as Potent and Selective A3 Adenosine Receptor Antagonists. J. Med. Chem. (2011) 54:457-471
- Åkerberg, H.; Fällmar, H.; Sjödin, P.; Boukharta, L.; Gutiérrez-de-Terán, H.; Lundell, I.; Mohell, N.; Larhammar, D. Mutagenesis of human neuropeptide Y/peptide YY receptor Y2 reveals additional differences to Y1 in interactions with highly conserved ligand positions. Regul. Pept. (2010), 163:120-129
- Areias, F.M.; Brea, J.; Gregori-Puigjané, E.; Zaki, M.E.A.; Carvalho, M.A.; Domínguez, E.; Gutiérrez-de-Terán, H.; Proença, M.F.; Loza, M.I.; Mestres, J. In silico directed chemical probing of the adenosine receptor family. Bioorg. Med. Chem. (2010) 18:3043-3052
- Rodríguez-Rodríguez, C.; Rimola, A.; Rodríguez-Santiago, L.; Ugliengo, P.; álvarez-Larena, A.; Gutiérrez-de-Terán, H.; Sodupe, M.; González-Duarte, P. Crystal structure of Thioflavin-T and its binding to A
1-42 fibrils. Chem. Commun. (2010) 46:1156-1158
- Varin, T.*; Gutiérrez-de-Terán, H.;* Castro, M.A.*; Brea, J.; Fabis, F.; Dauphin, F.; Åqvist, J; Perez, P; Burgueño, J; Vela, JM; Loza, M.I. and Rodrigo, J. (* these authors contributed equally). Phe 369(7.38) at human 5-HT7 serotonin receptors confers interspecies selectivity to antagonists and partial agonists. A multidisciplinary study combining pharmacological evaluation, molecular modelling and site-directed mutagenesis. Br. J. Pharmacol (2010) 159:1069-1081
- Gutiérrez-de-Terán, H.; Correia, C.; Rodríguez, D.; Carvalho, M.A.; Brea, J.; Cadavid, M.I.; Loza, M.I.; Proença, M.F. and Areias, F. Identification of Novel Scaffolds from an Original Chemical Library as Potential Antipsychotics. QSAR and Comb. Sci. (2009) 28:856-860
- Orrling, K.M.; Marzahn, M.R.; Gutiérrez-de-Terán, H.; Åqvist, J. Dunn, B.M. and Larhed, M. Alpha-Substituted Norstatines as the Transition-State Mimic in Inhibitors of Multiple Digestive Vacuole Malaria Aspartic Proteases. Bioorg. Med. Chem. (2009) 17:5933-5949.
- Blanco-Arias, P.; Einholm, A.P.; Mamsa, H.; Concheiro, C.; Gutiérrez-de-Terán, H.; Romero, J.; Toustrup-Jensen, M.S.; Carracedo, A.; Jen, J.C.; Vilsen, B. and Sobrido, M.J. A C-terminal Mutation of ATP1a3 Underscores the Crucial Role of Sodium Concentration in the Pathophysiology of Rapid-Onset Dystonia-Parkinsonism. Hum. Mol. Genet. (2009) 18:2370-2377.
- Liu, P.; Marzahn, M.R.; Robbins, A.H.; Gutiérrez-de-Terán, H.; Rodríguez, D.; McClung, S.; Stevens Jr., S.M.; Yowell, C.A.; Dame, J.B.; McKenna, R.; Dunn, B.M. Recombinant plasmepsin 1 from the human malaria parasite Plasmodium falciparum: Enzymatic characterization, active site inhibitor design, and structural analysis. Biochemistry (2009), 48:4086-4099.
- Michino, M.; Abola, E.; GPCR Assessment Participants*, Brooks III, C.L.; Dixon, J.S.; Moult, J.; Stevens, R.C. (*Gutiérrez-de-Terán, H. is part of the group of researchers within this list). Community-wide blind assessment of methods for GPCR structure modeling and docking. Nature Rev. Drug Discov. (2009) 8:455-463.
- Martínez, A.; Gutiérrez-de-Terán, H.; Brea, J.M.; Raviña, E.; Loza, M.I.; Cadavid, M.I.; Sanz, F.; Vidal, B. and Sotelo, E. Synthesis, Adenosine Receptor Binding and 3D-QSAR- of 4-Substituted
2-(2-furyl)-1,2,4-triazolo[1,5-a]quinoxalines. Bioor. Med. Chem. (2008) 16:2103-2113.
- Bjelic, S.; Nervall, M.; Gutiérrez-de-Terán, H.; Ersmark, K.; Hallberg, A.; Åqvist, J. Computational inhibitor design against malaria plasmepsins. Cell Mol. Life Sci. (2007) 67:2285-2305.
- Gutiérrez-de-Terán, H.; Nervall, M.; Dunn, B.M.; Clemente, J.C.; Åqvist, J. Computational analysis of plasmepsin IV bound to an allophenylnorstatine inhibitor. FEBS lett. (2006) 580:5910-5916.
- Gutiérrez-de-Terán, H.; Nervall, M.; Ersmark, K.; Liu, P.; Janka, L.K.; Dunn, B.M.; Hallberg, A.; Åqvist, J. Inhibitor Binding to the Plasmepsin IV Aspartic Protease from Plasmodium Falciparum. Biochemistry (2006) 45:10529-10541.
- Ersmark, K.; Nervall, M.; Gutiérrez-de-Terán, H.; Hamelink, E.; Janka, L.K.; Clemente, J.C.; Dunn, B.M.; Gogoll, A; Samuelsson, B; Åqvist, J; Hallberg, A. Macrocyclic inhibitors of the malarial aspartic proteases plasmepsin I, II, and IV. Bioorg. Med. Chem. (2006) 14:2197-2208.
- Barbany, M.*; Gutiérrez-de-Terán, H.*; Sanz, F.; Villà-Freixa, J. Towards a MIP-based alignment and docking in computer-aided drug design. Proteins (2004) 56:585-594 (* these authors contributed equally)
- Gutiérrez-de-Terán, H.; Pastor, M.; Centeno, N.B.; Åqvist, J.; Sanz, F. Comparative analysis of putative agonist binding modes in the human A
adenosine receptor. Chembiochem (2004), 5:841-849
- Gutiérrez-de-Terán, H.; Centeno, N.B.; Pastor, M.; Sanz, F. Novel Approaches for modeling of the A
adenosine receptor and its agonist binding site. Proteins (2004), 54:705-715
- Fontaine, F.; Pastor, M.; Gutiérrez-de-Terán, H.; Lozano, J.J. Sanz, F. Use of alignment-free molecular descriptors in diversity analysis and optimal sampling of molecular libraries. Mol. Divers. (2003), 6:135-147
- Barbany, M.; Gutiérrez-de-Terán, H.; Sanz, F.; Villà-Freixa, J.; Warshel, A. On the generation of catalytic antibodies by transition state analogs; ChemBioChem (2003), 4:277-285.
- Gutiérrez-de-Terán, H.; Lozano, J.J.; Segarra, V.; Sanz, F. Molecular diversity strategy on the basis of quantum mechanical computations and principal component analysis; Comb. Chem. High T. Scr. (2002), 5: 39-47.
- Rodrigo, J.; Barbany, M.; Gutiérrez-de-Terán, H.; Centeno, N.B.; de-Cáceres, M.; Dezi, C.; Fontaine, F.; Lozano, J.J.; Pastor, M.; Villà, J.; Sanz, F: Comparison of biomolecules on the basis of molecular interaction potentials; J. Brazil. Chem. Soc. (2002), 13: 795-799.
Books and book chapters
- Gutiérrez-de-Terán, H. and Åqvist, J. LIE: Method and applications. In Computer Aided Drug Design Editor: Riccardo Baron, in the series Methods in Molecular Biology, 2011 (in press)
- Gutiérrez-de-Terán, H. and Åqvist, J. The linear response approximation and linear interaction energy methods. In A course on biomolecular simulations Editor: Jordi Villá-Freixa. Ed. Huygens, Barcelona. 2011 (under edition)
Personal grants, research stays and collaborations
- Research stay, Uppsala University. 1 month stay, as part of the activities of my funded project A Structural Bioinformatics plataform for the study of GPCRs, Xunta de Galicia (June 2011)
- Research stay, Uppsala University. 2 months stay to work on the project A Comprehensive study of aspartic proteases (August-September 2009). Funded by Xunta de Galicia (mobility program)
- Research stay, Uppsala University. 2 months stay to work on the project Computational prediction of ligand binding to GPCRs (August-September 2008). Funded by Xunta de Galicia (mobility program)
- Mobility program, Barcelona Supercomputing Centre. (financed by Spanish Ministry of Education). Two weeks stay to work on the project: High-throughput LIE: Large-scale computational prediction of ligand binding affinities. (November 2007)
- Post-doctoral fellowship from the Swedish Science Fundation. Institute of Cell and Molecular Biology, Uppsala University. (june 2004 - september 2006)
- Gest researcher at Padova University, Molecular Simulation Group, invited by Prof. Stefano Moro (1 week, january 2006)
- Pre-doctoral fellowship from Fundació IMIM (january - may 2004). Research Grup on Biomedical Informatics, Pompeu Fabra University, Barcelona.
- Pre-doctoral short stay fellowship from Generalitat de Catalunya (september-november 2002). Uppsala University.
- Pre-doctoral fellowship from Generalitat de Catalunya (Catalonian goverment); 2000-2004. Research Grup on Biomedical Informatics Pompeu Fabra University, Barcelona.
- Pre-doctoral fellowship from Fundaci'o IMIM (october - december 1999). Research Grup on Biomedical Informatics Pompeu Fabra University, Barcelona.
- Undergraduate Fellowship from the spanish Ministry of Education (academic course 1998-99): Student in the Department of Organic Chemistry, University of Santiago de Compostela.
Other Scientific activities:
As an active scientist, I am frequently collaborate as a reviewer with scientific journals, and I have been invited to be member of the evaluation commitees of different national funding agencies. I have been member of scientific and steering commitees of several scientific meetings
- Reviewer in the following journals:
- Journal of the American Chemical Society
- Bioorganic and Medicinal Chemistry Letters
- Journal of Chemical Information and Modeling
- Journal of Molecular Graphics and Modeling
- Plos One
- Journal of Infectious Diseases
- Proteins, Structure, Function and Bioinformatics
- Letters in Drug Design and Discovery
- Evaluator of research programs in the following Funding agencies:
- National Science Foundation (USA)
- National Council for Scientific Research (Romania)
- Member of the organization boards of the following scientific meetings:
- I Xornadas Galegas de Bioinformatica; A Coruña, 4 April 2008; II Xornadas Galegas de Bioinformatica; Santiago de Compostela, 1 December 2009 (Member of the Steering and Scientific Commitees)
- VIII Spanish Conference on Bioinformatics; Valencia, 13-15 February 2008 (Member of the Steering and Scientific Commitees)
- XVII International Symposium on Medicinal Chemistry; Barcelona, 1-5 September 2002 (Member of the local committee)
- Member of the following scientific Societies:
.
- American Chemical Society, since 2010.
- Spanish Society of Biochemistry and Molecular Biology, since 2006.
- Spanish Society of Medicinal Chemistry, since 2001.
Conferences
This section lists my participation in 27 conferences, including 7 oral presentations. Publications in Conference Proceedings are depicted where appropiate in this section.
- XIII Congress of the Spanish Society of Medicinal Chemistry (SEQT) organized by the SEQT, Valencia, 18-21 September 2011. Oral Presentation:
Gutiérrez-de-Terán, H.: Structure-Based Ligand Design on Adenosine Receptors.
- 9th WATOC conference, Santiago de Compostela, 17-22 July 2011. Poster:
Rodríguez D.; Mokarzel-Falcón, L.; Gutiérrez-de-Terán H.: Molecular Dynamics Simulations OF G Pprotein-Coupled Receptor Dimers.
- 241
ACS National Meeting, Anaheim (CA), 27-31 March 2011. Oral Presentations:
- Gutiérrez-de-Terán, H.; Rodríguez, D.; Bello, X: Developmentand applications of a structural bioinformatics platform for thecharacterization of G protein-coupled receptors.
- Rodríguez D., Gutiérrez-de-Terán H.: Influence of protonation states, single point mutations and ligands in the dynamics of adenosine receptors.
- VIIth ERA Chemistry Flash Conference: Bioinspired Chemistry: Santiago de compostela, 24-27 October 2010. Oral presentation:
Gutiérrez-de-Terán, H: A Structural bioinformatics platform for the study of GPCRs.
- XXIth International Symposium of Medicinal Chemistry: Brussels, 1-5 September 2010. Presentation of the posters:
- Rodríguez, D; Yaziji, V; Sotelo, E and Gutiérrez-de-Terán, H: Mutually complementary ligand and structure-based computational studies on a novel series of potent and selective A
adenosine receptor antagonists.
Publication: Drugs of the future, 35, suppl. A (2010)
- Gutiérrez-de-Terán, H and Åqvist, J.: A comprehensive computational study of aspartic proteases in drug design.
Publication: Drugs of the future, 35, suppl. A (2010)
- ISQBP President's Meeting: Cetraro, Italy, 14-16 June 2010. Presentation of the poster:
Rodríguez, D.; Bello, X.; Piñeiro, A.; Brocos, P.; Gutiérrez-de-Terán, H.: A Structural Bioinformatics Platform FOR G-Protein Coupled Receptors
- IX Jornadas Nacionales de Bioinformatica: Lisbon, 3-6 November 2009. Presentation of the poster:
Rodríguez, D.; Piñeiro, A.; Brocos, P.; Gutiérrez-de-Terán, H.: Adenosine receptors: A systematic structural study based on the crystal structure of hA
receptor
- Int. Workshop in memoriam of Angel R. Ortiz: Madrid, 25-28 January 2009. Presentation of the posters:
- Gutiérrez-de-Terán, H.; Rodríguez, D.: Adenosine receptors: A systematic structural study of ligand binding based on the crystal structure of hA
receptor.
- Rodríguez D., Gutiérrez-de-Terán H., Dunn B.M.: Investigation of the binding site of plasmepsins with peptidomimetic inhibitors.
- Euro QSAR 2008: Uppsala, 21-26 September 2008. Presentation of the poster:
Gutiérrez-de-Terán, H.; Areias, F.; Rodríguez, D.; Brea, J.; Proenca, M.F.; Loza, M.I.: Identification of novel scaffolds from an original chemical library as potential antipsychotics.
- XXth International Symposium of Medicinal Chemistry: Viena, 29 september 2008. Poster
Orrling, K.; Marzahn, M.R.; Gutiérrez-de-Terán, H.; Åqvist, J.; Dunn, B.M. and Mats Larhed, M. Novel aspartyl protease inhibitors in the quest against malaria
Publication: Drugs of the future, 33, suppl. A (2008)
- VIII Jornadas Nacionales de Bioinformática: Valencia, 13-15 February 2008.
- Oral presentation: Gutiérrez-de-Terán, H.; Orrling, K.; Dunn, B.M.; Åqvist J. Investigating Promiscuous Inhibition of Proteases by Computational Methods.
- Poster presentation: Gutiérrez-de-Terán, H.; Brea, J.; Loza, M.I. Pharmacological profiling using HTS: Design and analysis of HTS campaigns.
- Member of the organizing and scientific boards of the Conference.
- High Content Analysis, Spain: Madrid, 26-27 March 2007. Presentation of the poster:
Gutiérrez-de-Terán, H.; Brea, J.; Loza, M.I. Pharmacological profiling using HTS: Design and analysis of HTS campaigns.
- Screening and Medicinal Chemistry Europe, Select Biosciences: Barcelona, 20-21 February 2007
- ISQBP President's Meeting; Strasbourg, 24-27 June 2006. Presentation of the poster:
Gutiérrez-de-Terán, H.; Nervall, M.; Ersmark, K.; Liu, P.; Janka, L.K.; Dunn, B.M.; Hallberg, A.; Åqvist, J. Inhibitor binding to the plasmepsin IV aspartic protease from P. falciparum
- 8th International Symposium on Adenosine and Adenine Nucleotides; Ferrara, 24-28 May 2006. Presentation of the poster:
A. Stefanachi, A. Carotti, J.M. Brea, M.I. Cadavid, N.B. Centeno, C. Esteve, F. Fontaine, H.
Gutiérrez-de-Terán, M. Isabel Loza, A. Martinez, S. Moro, O. Nicolotti, R. Nieto, M. Pastor, E. Ravina, F. Sanz, V. Segarra, E. Sotelo, B. Vidal.
. Structural insights into hA
affnity and selectivity of 9-deazaxanthines from combined ligand and
structure-based approaches.
- Conference: Computational studies on plasmepsin IV inhibitors: aplications
to antimalarial drug design; GRIB - Pompeu Fabra University, Barcelona, 18 April 2005
- 229
ACS National Meeting; San Diego (CA), 13-17 March 2005. Presentation of the poster:
Gutiérrez-de-Terán, H; Åqvist J; Sanz F. Comparative analysis of putative agonist binding modes in the human A
adenosine receptor.
Publication: Abstracts of Papers of the American Chemical Society., (2005) 229, U778
- Bioinformatics: Present Applications and Future Challenges; Barcelona, 19-21 mayo 2003.
- XVIII International Symposium on Medicinal Chemistry; Copenhagen-Malmö, September 2002. Presentation of the poster:
Carotti A, Cadavid MI, Centeno NB, Esteve C, Fontaine F, Gutierrez de Teran H, Loza MI, Martínez A, Nicoletti O, Nieto R, Pastor M, Raviña E, Sanz F, Segarra V, Sotelo E, Stefanachi A, Vidal B. 9-Deazaxanthines as selective A2B AR ligands: design, synthesis and SAFIR studies.
Publication: Drugs of the future, 29, suppl. A (2004)
- XIII Congress of the Spanish Society of Medicinal Chemistry (SEQT) organized by the SEQT; Santiago de Compostela, 9-12 september 2003. Gained a grant of the SEQT for the attendance. Presentation of the poster:
Gutiérrez-de-Terán, H; Åqvist J; Sanz F. Definition of the agonist binding mode on the A
adenosine receptor: binding free energy prediction on a series of agonists.
- Theoretical Biophisics Symposium; Donostia, 5-7 March 2003. Presentation of the poster:
Barbany, M; Gutiérrez-de-Terán, H; Sanz, F; Villá-Freixa, J. Similarity between TSA and TS in the framework of the Langevin Dipoles solvation method
- XVII International Symposium on Medicinal Chemistry; Barcelona, 1-5 September 2002. Presentation of the poster:
Gutiérrez-de-Terán, H; Centeno, N.B.; Pastor, M; Sanz, F.: Agonist binding modes in human A
adenosine receptor. Molecular dynamics and docking studies.
Publication: Drugs of the future, 27, suppl. A (2002)
- I National Meeting on Molecular Modeling and Chemoinformatics; Barcelona, 22 marzo 2002
- I Meeting of the Catalonian Net of Molecular Modeling; Barcelona, 24-25 January 2002. Oral presentation:
Gutiérrez-de-Terán, H; Dezi, C; Pastor, M; Sanz, F.: Developement of a systematic protocol for modeling GPCRs.
- 3rd Workshop on Chemical Structure and Biological Activity: Perspectives in QSAR; Sao Paulo, September 2001. Conferences (Prof. Ferran Sanz):
- Sanz, F.; Barbany, M.; Villá, J.; Gutiérrez-de-Terán, H.; Centeno, N.B.; Segarra, V. MIP-based alignement of biomolecules
- Sanz, F.; Gutiérrez-de-Terán, H.; Lozano, J.J.; Segarra, V. Diversity Studies in Parallel Synthesis Planning
- Sanz, F.; Carrieri, A.; Centeno, N.B.; Dezi, C.; Gutiérrez-de-Terán, H.; Pastor, M.; Rodrigo, J. Modelling of ligand-GPCR interactions
- XII Congress of the Spanish Society of Medicinal Chemistry (SEQT) organized by the SEQT; Sevilla, 10-14 de september 2001. Gained a grant of the SEQT for the attendance. Presentation of the poster:
Gutiérrez-de-Terán, H; Centeno, NB; Segarra, V; and Sanz, F.: Non-evident structural superpositions under the basis of MEP. Aplication on antagonists of adenosine receptor A
.
- Annual meeting of the Theoretical Chemistry Net of Generalitat de Catalunya; Barcelona, 13-14 july 2000. Oral presentation:
Gutiérrez-de-Terán, H; Lozano, JJ; Segarra, V; Sanz, F.: Molecular diversity study on the basis of quantum-mechanical computations.
- Computational Byophisics 2000; Nice, 13-15 june 2000. Presentation of the poster:
Gutiérrez-de-Terán, H; Lozano, JJ; Segarra, V; Sanz, F.: Molecular diversity study on the basis of quantum mechanical computations.
Attended Courses:
- Schrödinger Workshop; Santiago de Compostela, 16-17 june 2010. Local organizer of the workshop.
- e-Cheminfo Advance training workshop: Lastest advances in drug discovery and planning methods; Oxford, 25-29 June 2007. Gained a grant from Chemical Computing Group for the attendance.
- Bologna winter School on biothecnology: Predicting The 3D Structure of Difficult Proteins; Bologna, 3-9 February 2002
- Gaussian workshop: Introduction to Gaussian theory and practice, organized by Gaussian Inc. - Supercomputation Center of Catalonia (CESCA); Barcelona, 12-15 September 2000.
- Advanced Course on Medicinal Chemistry, organized by the Italian Chemical Society - Division of Medicinal Chemistry; Urbino, 2-6 de July 2000. Gained a grant from the organizing comitee for the attendance.
- Demoepidemiologigal diagnostics in relationship to development, organized by the Dep. of Public Health, University of Santiago de Compostela; Santiago de Compostela, 13-15 May 1998
Languages:
- Spanish:
mother tonge
- English:
speaks: correctly; reads: correctly; writes: correctly
- Catalan:
speaks: correctly; reads: correctly; writes: correctly
- French:
speaks: poorly; reads: moderately; writes: poorly
- Galician:
speaks: correctly; reads: correctly; writes: moderately
Informatics:
- Molecular Modeling, Bioinformatics and Computational Chemistry: Pymol, MOE, InsightII, VMD (molecular modelling), ClustalW/X (protein alingment); Amber, Q, NAMD (molecular dynamics) GOLD, Autodock, QXP, eHITS (molecular docking); Gaussian94/98, Amsol and Mopac (quantum mechanics); Grid, Golpe, Almond, MIPsim, Openeye suite, Chemaxon suite (Chemoinformatics), Schrödinger suite.
- UNIX: operative sistem Linux (PC, Intel/AMD processors) and Irix (Silicon Graphics). Programing scripting on Perl, C-shell and awk; basic knowledge on Python and Fortran77; text editors (LATEX) and images (Xview, ImageWorks); internet: mozilla/firefox, web portals (Plone, Joomla), communication protocols (ftp, ssh, telnet). Offimatics (OpenOffice); Databases (MySQL)
- DOS/WINDOWS: Knowledge and practice on offimatics (MSWord, PowerPoint, Access, Excel, EndNote); statistical software (SPSS); images editors (Adobe Photoshop, CorelDraw); chemical software (IsisDraw, IsisBase, ChemDraw), Internet (Firefox, Internet Explorer).
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Hugo Gutierrez de Teran
2011-11-17