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Recent blog posts

  • Small Molecule Dihedrals Parametrization
  • Gaussian 09 and Antechamber12
  • Organic solvent boxes
  • Parametrize new ligands for AMBER and CHARMM
  • Gaussian09 bug fix
  • Building AMBER 11 and AmberTools 1.5 on MacOS 10.6.8 (Snow Leopard): A command list
  • Instructions to screen huge chemical collections with rDock
  • Basic instructions to screen huge chemical collections with rDock
  • Define contacts and binding site between a given ligand (x-ray or docking) and PDB file
  • Hands-on tutorial & exercises of Gaussian
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Home › Group Members
First Name Last Name Position Picture
Javier Luque Group leader
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Ramon Pouplana Group leader
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Axel Bidon-Chanal Researcher
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Adrian Roitberg Sabbatical
Xavier Barril Group leader
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Antonio Ceacero Post Doc
Patricio Flores Post Doc
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Sadiel Ortega Post Doc
Haydee Valdés González Post Doc
Josep Campanera Researcher
Mousumi Bhattacharyya PhD Student
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Carlos Galdeano PhD Student
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Jordi Juarez PhD Student
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Ana Oliveira PhD Student
Peter Schmidtke PhD Student
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Jesus Seco PhD Student
Flavio Forti Post Doc
Yvonne Westermaier Post Doc
Carles Curutchet Researcher
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Laura Rodríguez Pascau Researcher
Daniel Álvarez García PhD Student
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Montse Pujadas Lorente PhD Student
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Sergi Ruiz Carmona PhD Student
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Kevin Pinto Gil Student (Master)
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Aida Delgado Ramírez Technician
Salome Llabres Student (Master)