The research program integrates different independent research leaded by senior scientists who work in different aspects of computational biology, ranging from bioinformatics for genomics to computational biochemistry. The program is originated as a collaborative effort with other institutions like ICREA, IRB-PCB-UB and the National Institute of Bioinformatics.
LIFE SCIENCES DEPARTMENT DIRECTOR
PCA suite: Software package for lossy trajectory compression using Principal Component Analysis (PCA) techniques.
The first dynamic map of proteins revealed. The MMB group has determined the first dynamic map of protein movements by determining trajectories of protein metafolds in aqueous solution using four different force-fields. Results have been recently published in Proc. Natl. Acad. Sci. USA. (2007) 104, 796-801.
Our main goal is to gain a deep insight into the origin, evolution and function of living organisms using theory and computation. Our focus goes from a global analysis of living entities understood as complex systems to detailed studies of key interactions at the sub-atomic level. Overall, our objective is to make theory and simulation as one of the driving forces to the advance of research in life sciences.
ELECTRONIC AND ATOMIC PROTEIN MODELLING
Our main goal is the study of complex biochemical processes both at an electronic, by means of quantum mechanics, and atomic, by means of classical mechanics, theoretical detail. First, we place particular on the application of such methods, with emphasis on protein-ligand interactions. The second area involves the development of new methodological components, centered in obtaining long time protein dynamics by means of Monte Carlo algorithms.
M.Rueda, C.Ferrer, T.Meyer, A.Pérez, J.Camps, A.Hospital, J.L.Gelpí and M.Orozco. A consensus view of protein dynamics. Proc. Natl. Acad. Sci. USA. 104, 796-801. January 2007
Suyama M, Harrington E, Bork P, Torrents D. Identification and analysis of genes and pseudogenes within duplicated regions in the human and mouse genomes. PLoS Comput Biol. 30; 2(6):e76, June 2006.
Guallar V, Jarzecki A, Friesner RA., Spiro TG. Modeling of Ligation-Induced Helix/Loop Displacements in Myoglobin; Toward an Understanding of Hemoglobin in Allostery. J. Am. Chem. Soc., 129, 5427-5435, April 2006.
Chelliah V, Blundell TL, Fernández-Recio, J. Efficient Restraints for Protein-Protein Docking by Comparison of Observed Amino Acid Substitution Patterns with those Predicted from Local Environment. J. Mol. Biol. 357, 1669-1682, April 2006.
Rueda M, Luque FJ, Orozco M. G-DNA can maintain its structure in the gas phase. J. Am. Chem. Soc., 128, 3609-3619, March 2006.
Federici L, Di Matteo A, Fernández-Recio J, Tsernoglou D, Cervone F. Polygalacturonase inhibiting proteins: players in plant innate immunity? Trends Plant Sci. 11, 65-70, February 2006.
Chimpanzee Sequencing and Analysis Consortium (including D. Torrents). Initial sequence of the chimpanzee genome and comparison with the human genome. Nature.;437(7055):69-87, September 2005.
Ferrer-Costa C. Gelpí JL, Zamacola L, Párraga I, de la Cruz X, Orozco M. PMUT: a web-based tool for the annotation of pathological mutations on proteins Bioinformatics, 21, 3176-3178, 15 July 2005.
Noy A, Pérez A, Marquez M, Luque FJ, Orozco M. Structure, recognition properties, and flexibility of the DNA.RNA hybrid. J. Am. Chem. Soc., 127, 4901-4920, 6 April 2005.
Crespo A, Martí MA, Kalko SG, Morreale A, Orozco M, Gelpí JL, Luque FJ. Theoretical study of the truncated hemoglobin HbN: exploring the molecular basis of the NO detoxification mechanism Theoretical study of the truncated hemoglob J. Am. Chem. Soc., 127, 4433-4444, 30 March 2005.
Guallar V, Borrelli KP. A Novel Binding Mechanism in Protein-Nucleotide Interaction: Implication for U1A RNA binding. Proc. Natl. Acad. of Science, 102,3954-3959, March 2005.
- ACEBES SERRANO, SANDRA - PREDOCTORAL RESEARCHER
- AGOSTINO, MARK - VISITOR
- ALCANTARA, JOSE ANTONIO - RESEARCH ASSISTANT IRB-BSC GROUP
- ALIBES, ANDREU - ASSOCIATE POSTDOCTORAL FELLOW IRB-BSC
- ALOY, PATRICK - ASSOCIATE RESEARCHER IRB-BSC
- ANDRIO BALADO, PAU - RESEARCH SUPPORT ENGINEER
- ARCELLA, ANNALISA - PHD STUDENT IRB- BSC GROUP
- BARRADAS, DIDIER - VISITOR RESIDENT STUDENT
- BATTISTINI, FEDERICA - ASSOCIATE POSTDOCTORAL FELLOW IRB-BSC
- BONAS GUARCH, SILVIA - RESEARCHER
- BUITRAGO, DIANA - VISITOR
- CABEZA DE VACA LOPEZ, ISRAEL - RESEARCHER
- CANDOTTI, MICHELLA - PHD STUDENT IRB- BSC GROUP
- CANELLAS , MARINA - VISITOR
- CARRILLO, OLIVER - POSTDOCTORAL FELLOW IRB-BSC GROUP
- CATELLAZZI, CHIARA - POSTDOCTORAL FELLOW IRB-BSC GROUP
- CHAUDHURI, RIMA - ASSOCIATE POSTDOCTORAL FELLOW IRB-BSC
- CODO, LAIA - RESEARCHER
- COLLEPARDO GUEVARA, ROSANA - ASSOCIATE RESEARCHER IRB-BSC
- CORTES, JORGE - RESEARCH SUPPORT ENGINEER