Molecular Modelling and Bioinformatics
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.
- Analysis of the influence of solvent in molecular recognition. Continuum methods are being compared to analysis of 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-ð interactions, and general mechanisms of molecular recognition.
Studies on Proteins
- We are interested in the understanding of the basis of protein interactions, including those of pharmacological importance. Methods are being developed to understand both protein-protein and protein-ligand recognition.
- Protein flexibility is being analysed using massive molecular dynamics simulations
Studies on Nucleic Acids
- Molecular dynamics and statistical mechanics to study 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.
Massive Genomic Analysis
- Datamining of genomic DNA to find regions with inusual 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.
Further information: http://mmb.pcb.ub.es
- ALCANTARA, JOSE ANTONIO - RESEARCH ASSISTANT IRB-BSC GROUP
- ALIBES, ANDREU - ASSOCIATE POSTDOCTORAL FELLOW IRB-BSC
- ARCELLA, ANNALISA - PHD STUDENT IRB- BSC GROUP
- BATTISTINI, FEDERICA - ASSOCIATE POSTDOCTORAL FELLOW IRB-BSC
- CANDOTTI, MICHELLA - PHD STUDENT IRB- BSC GROUP
- CARRILLO, OLIVER - POSTDOCTORAL FELLOW IRB-BSC GROUP
- CATELLAZZI, CHIARA - POSTDOCTORAL FELLOW IRB-BSC GROUP
- CHAUDHURI, RIMA - ASSOCIATE POSTDOCTORAL FELLOW IRB-BSC
- COLLEPARDO GUEVARA, ROSANA - ASSOCIATE RESEARCHER IRB-BSC
- DANS, PABLO - ASSOCIATE POSTDOCTORAL FELLOW IRB-BSC
- EMPERADOR, AGUSTI - ASSOCIATE INVESTIGATOR IRB- BSC GROUP
- FAUSTINO, IGNACIO - PHD STUDENT IRB-BSC GROUP
- FLORES, OSCAR - PHD STUDENT IRB-BSC GROUP
- GONI, JOSEP RAMON - SENIOR RESEARCHER
- IVANI, IVAN - PHD ASSOCIATE STUDENT IRB-BSC
- KUZMANIC, ANTONIJA - ASSOCIATE RESEARCHER IRB-BSC
- MONTANARI, FLORIANNE - PHD ASSOCIATE STUDENT IRB-BSC
- ORELLANA, LAURA - PHD STUDENT IRB-BSC GROUP
- PEDRO, MARGARITA - RESEARCH ASSISTANT IRB-BSC GROUP
- PEREZ ANTONANZAS, ALBERTO - ASSOCIATE RESEARCHER
- PORTELLA, GUILLEM - POSTDOCTORAL FELLOW IRB-BSC GROUP
- PROTASIO, JOAN - ASSOCIATE POSTDOCTORAL FELLOW IRB-BSC
- ROSETTI, GIULIA - ASSOCIATE POSTDOCTORAL RESEARCHER IRB-BSC
- SANTAOLALLA, AIDA - RESEARCH ASSISTANT IRB-BSC GROUP
- SFRISO, PEDRO - PHD STUDENT IRB-BSC GROUP
- SIRAGUSA, LYDIA - ASSOCIATE RESEARCHER IRB-BSC
- SOLER, MONTSERRAT - LAB MANAGER IRB-BSC GROUP