Chemistry,
Univeristy of Southampton,
United Kingdom
Website
What we do: Molecular dynamics simulation of transmembrane anion transport by synthetic receptors.
Department of Chemistry,
University of Oxford,
United Kingdom
Website
What we do: Computational investigation of the functional properties and energetics of anion templated interlocked systems including rotaxanes, catenanes and interpenetrated capsules.
Department of Chemistry,
University of Sheffield,
United Kingdom
Website
What we do: DFT and TD-DFT calculations of the electronic properties of thiacrown ruthenium complexes. Investigation of the molecular recognition mechanisms between G-DNA and ruthenium complexes by molecular dynamics simulation methods.
Funded by: Treaty of Windsor Anglo-Portuguese Joint Research Programme 2009-2010 "Self-assembled Redox and Photochemically Active Metallomacrocycles as Molecular Devices"
Faculdade de Ciências,
Universidade de Lisboa,
Portugal
Website
What we do : Molecular design assisted by computational tools of synthetic receptors for enantiomeric resolution of pharmaceutical drugs and anion membrane transporters.
Funded by: FCT research project PPTDC/QUI-QUI/101022/2008 "Development of azacalix(hetero)arene transporters for mediated anionic flux across membranes: a novel approach for studying ionic passive diffusion & FCT research Project PTDC/QUI/68582/2006 "Molecular design of novel aza-bridged calixarene receptors for medicinal chemistry encapsulation of lanthanide ions and chiral resolution of drugs".
iBiMED,
Universidade de Aveiro,
Portugal
Website
What we do: Evaluation of tetrapyrrole Binding properties of the Heme-Binding Proteins by computational simulation methods.
Funded by: FCT research Project PTDC/QUI/64203/2006 "Structural and functional studies of the SOUL/HBP family of heme-binding proteins".
Department of Chemistry,
Panjab University,
India
Website
What we do: Structural characterisation of supramolecular chemistry architectures derived from the assembly of cationic cobalt amine complexes and anionic entities.
iBiMED,
Universidade de Aveiro,
Portugal
Website
What we do: Molecular dynamics simulations of two natural isoforms of Candida albicans seryl-tRNA synthetases (SerRS_Ser197 and SerRS_Leu197), to understand this effects in CUG ambiguity.
School of Chemistry,
University of Bristol,
United Kingdom
Website
What we do: Molecular dynamics simulation of transmembrane anion transport by synthetic receptors.
Departamento de Química,
Universidad de Burgos,
Spain
Website
What we do: Molecular dynamics simulation of transmembrane anion transport by synthetic receptors.