Vés al contingut
Mecanismes de Malaltia
Molecular Modelling and Bioinformatics
Imatge
Modesto Orozco
Group Leader
Telephone:
+34 93 40 37156

ERC Advanced Grant, Professor (Biochemistry and Molecular Biology Dept. - UB)

Imatge
Imatge

Research information

Research interests

Our research focuses on the study of molecular recognition processes of biological significance from methodological and application points of view. The main subjects addressed are the structure of non-standard nucleic acids, the dynamic properties of macromolecules, and protein-ligand and protein-protein recognition.

Research lines

Methodological aspects

  • Analysis of the effect of solvent in molecular recognition. Continuum methods are compared to analyse explicit solvent simulations.
  • Fine-tuning of the parametrization of molecular dynamics simulations.

Studies on Small Models

  • Theoretical studies of small model systems of large biological impact. This includes, among others, tautomeric and isomerism processes, stacking interactions, salt bridges, hydrogen bonding, cation-π interactions, and general mechanisms of molecular recognition.

Studies on Proteins

  • We study the basis of protein interactions, including those of pharmacological importance. In addition, we develop methods to examine both protein-protein and protein-ligand recognition.
  • We analyse protein flexibility using massive molecular dynamics simulations.

Studies on Nucleic Acids

  • We use molecular dynamics and statistical mechanics to examine anomalous forms of nucleic acids. Particular attention is paid to the study of conformational transitions in DNA, drug-DNA interactions, and the analysis of triple helices and other structures of potential impact in antigene or antisense therapies.

Bioinformatics

  • Data mining of genomic DNA to identify regions with unusual structures or unusual mechanical properties.
  • Development of algorithms for the prediction of the pathological character of single nucleotide polymorphisms.
  • Structural study of alternative splicing in proteins.

Selected publications

Buitrago D; Labrador M; Arcon JP; Lema R; Flores O; Esteve-Codina A; Blanc J; Villegas N; Bellido D; Gut M; Dans PD; Heath SC; Gut IG; Brun Heath I; Orozco M
Nature Communications
12
(1 )
3243 -
(2021)
Walther J; Dans PD; Balaceanu A; Hospital A; Bayarri G; Orozco M
Nucleic Acids Research
48
(5 )
e29 -
(2020)
Aranda J; Terrazas M; Gómez H; Villegas N; Orozco M
Nature Catalysis
2
(6 )
544 -
552
(2019)
Terrazas M; Genna V; Portella G; Villegas N; Sánchez D; Arnan C; Pulido-Quetglas C; Johnson R; Guigó R; Brun-Heath I; Aviñó A; Eritja R; Orozco M
Chem
5
(6 )
1619 -
1631
(2019)
Orellana L; Thorne AH; Lema R; Gustavsson J; Parisian AD; Hospital A; Cordeiro TN; Bernadó P; Scott AM; Brun-Heath I; Lindahl E; Cavenee WK; Furnari FB; Orozco M
Proceedings Of The National Academy Of Sciences Of The United States Of America
116
(20 )
10009 -
10018
(2019)
Colizzi F; Hospital A; Zivanovic S; Orozco M
Angewandte Chemie (International Ed. Print)
58
(12 )
3759 -
3763
(2019)
Dans P; Gallego D; Balaceanu A; Darré L; Gómez H; Orozco M
Chem
5
(1 )
51 -
73
(2019)
Darré L; Ivani I; Dans P; Gómez H; Hospital A; Orozco M
Journal Of The American Chemical Society
138
(50 )
16355 -
16363
(2016)
Dans P; Walther J; Gómez H; Orozco M
Current Opinion In Structural Biology
37
( )
29 -
45
(2016)
Georgieva M; Yahya G; Codó L; Ortiz R; Teixidó L; Claros J; Jara R; Jara M; Iborra A; Gelpí J; Gallego C; Orozco M; Aldea M
Nature Methods
12
(10 )
955 -
958
(2015)
Molina R; Stella S; Redondo P; Gomez H; Marcaida MJ; Orozco M; Prieto J; Montoya G
Nature Structural & Molecular Biology
22
(1 )
65 -
72
(2015)
Arcella A; Dreyer J; Ippoliti E; Ivani I; Portella G; Gabelica V; Carloni P; Orozco M
Angewandte Chemie (International Ed. Print)
54
(2 )
467 -
471
(2015)
Ivani I; Dans P; Noy A; Pérez A; Faustino I; Hospital A; Walther J; Andrio P; Goñi R; Balaceanu A; Portella G; Battistini F; Gelpí J; González C; Vendruscolo M; Laughton C; Harris S; Case D; Orozco M
Nature Methods
13
(1 )
55 -
58
(2015)
Portella G; Terrazas M; Villegas N; González C; Orozco M
Angewandte Chemie (International Ed. Print)
54
(36 )
10488 -
10491
(2015)
Rossetti G; Dans P; Gomez-Pinto I; Ivani I; Gonzalez C; Orozco M
Nucleic Acids Research
43
(8 )
4309 -
4321
(2015)

Projects

“Valorización de EGA para la Industria y la Sociedad”. El proyecto VEIS, con número de expediente 001-P-001647, está cofinanciado en un 50% con 1.951.429,38€ por el Fondo Europeo de Desarrollo Regional de la Unión Europea en el marco del Programa Operativo FEDER de Catalunya 2014-2020, con el soporte de la Generalitat de Catalunya. Objetivo: promover el desarrollo tecnológico, la innovación y una Investigación de calidad. El IRB Barcelona recibirá la financiación de 336.551,23€.

“Valorization of EGA for the Industry and Society”. The VEIS project with file number 001-P-001647 has been co-financed by the European Union Regional Development Fund within the framework of the ERDF Operational Program of Catalonia 2014-2020 with a grant of 1,951,429.38€ (50% of total cost eligible) with the support of Generalitat de Catalonia. Objective: to promote the technological development, innovation and a high-quality research. IRB Barcelona will receive 336,551.23€ of funding.

“Valorització de EGA per a la Indústria i la Societat". El projecte VEIS amb número d'expedient 001-P-001.647 ha estat cofinançat en un 50%, amb 1.951.429,38 €, pel Fons Europeu de Desenvolupament Regional de la Unió Europea en el marc de el Programa Operatiu FEDER de Catalunya 2014-2020, amb el suport de la Generalitat de Catalunya. Objectiu: promoure el desenvolupament tecnològic, la innovació i una investigació de qualitat. El IRB Barcelona rebrà el finançament de 336.551,23€.

Secretaria d'Universitas i Recerca
European union

“Cluster Emergente del Cerebro Humano”. El proyecto CECH, con número de referencia 001-P-001682, está cofinanciado en un 50% con 1.527.637,88 € por el Fondo Europeo de Desarrollo Regional de la Unión Europea en el marco del Programa Operativo FEDER Catalunya 2014-2020, con el soporte de la Generalitat de Catalunya. Objetivo: promover el desarrollo tecnológico, la innovación y una Investigación de calidad. El IRB Barcelona recibirá la financiación de 219.395,35€

“Emerging cluster of Human Brain”. The CECH project with file number 001-P-001682 has been co-financed by the European Union Regional Development Fund within the framework of the ERDF Operational Program of Catalonia 2014-2020 with a grant of 1,527,637.88 € (50% of total cost eligible) with the support of Generalitat de Catalonia. Objective: to promote the technological development, innovation and a high-quality research. IRB Barcelona will receive 219,395.35€ of funding.

"Clúster Emergent del Cervell Humà". El projecte CECH amb número d'expedient 001-P-001682 ha estat cofinançat en un 50%, amb 1.527.637,88 €, pel Fons Europeu de Desenvolupament Regional de la Unió Europea en el marc de el Programa Operatiu FEDER de Catalunya 2014-2020, amb el suport de la Generalitat de Catalunya. Objectiu: promoure el desenvolupament tecnològic, la innovació i una investigació de qualitat. El IRB Barcelona rebrà el finançament de 219.395,35€.

Secretaria d'Universitas i Recerca
European union

Group members

Group Leader
Research Associate
Research Assistant
Research Assistant
Research Assistant
Postdoctoral Fellow
Postdoctoral Fellow
Lab Assistant
Postdoctoral Fellow
Lab Assistant
Postdoctoral Fellow
Lab Assistant
Postdoctoral Fellow
Lab Assistant
Postdoctoral Fellow
PhD Student
PhD Student
Lab Technician
Administrative Assistant
Visiting Scientist
Visiting Scientist
Web Developer
Visiting Student

Group News

L'IRB Barcelona als mitjans
3 maig 2019
L'IRB Barcelona als mitjans
14 febr. 2019
L'IRB Barcelona als mitjans
11 maig 2018
L'IRB Barcelona als mitjans
29 nov. 2017
L'IRB Barcelona als mitjans
15 nov. 2017