Vítor Félix

Associate Professor with Aggregation



  • PhD in Chemistry, Instituto Superior Técnico, Lisbon, Portugal (1993)


  • Graduated in Applied Chemistry (Organic Chemistry), Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Lisbon, Portugal (1986)


Academic Career:

  • Associate Professor with Aggregation (2008-present)


  • Associate Professor (2000-2008)


  • Auxiliary Professor(1997-2000)


  • Auxiliary Invited Professor (1994-1997)


  • Assistant Professor (1993-1994)


  • Visiting Scientist at University of Reading, with Professor Michael Drew (1994 and 2001)


Researcher ID

molecular modelling group

The research field of our modelling group includes both experimental and computational areas of supramolecular chemistry, in the following research lines


Computer modelling of drug-biological target interactions;


Theoretical investigation of halogen bonds in interlocked and/or macrocyclic receptors;



Molecular design of artificial receptors for anion recognition;




Computational studies of the diffusion of delivery-systems in cellular membrane models.


The computational research includes mainly quantum calculations and molecular dynamics simulations. The experimental structural studies are carried out primarily through single crystal X-ray diffraction using a CCD system. Our group is currently hosted at the Department of Health Sciences.

Most of these research topics are part of our extensive international scientific network (more details bellow).


Further information about our group can be found at the Molecular Modeling Group site.

selected publications

  • S. J. Moore, C. J. E. Haynes, J. Gonzalez, J. L. Sutton, S. J. Brooks, M. E. Light, J. Herniman, G. J. Langley, V. Soto-Cerrato, R. Perez-Tomas, I. Marques, P. J. Costa, V. Felix and P. A. Gale, Chem. Sci., 2013, 4, 103-117.[link]
  • F. Zapata, A. Caballero, N. G. White, T. D. Claridge, P. J. Costa, V. Felix and P. D. Beer, J. Am. Chem. Soc., 2012, 134, 11533-11541.[link]
  • A. I. Vicente, J. M. Caio, J. Sardinha, C. Moiteiro, R. Delgado and V. Felix, Tetrahedron, 2012, 68, 670-680.[link]
  • J. D. Ingram, P. J. Costa, H. Adams, M. D. Ward, V. Felix and J. A. Thomas, Inorg. Chem., 2012, 51, 10483-10494.[link]
  • C. J. E. Haynes, S. J. Moore, J. R. Hiscock, I. Marques, P. J. Costa, V. Felix and P. A. Gale, Chem. Sci., 2012, 3, 1436-1444.[link]
  • A. Caballero, F. Zapata, N. G. White, P. J. Costa, V. Felix and P. D. Beer, Angew. Chem. Int. Ed. Engl., 2012, 51, 1876-1880.[link]
  • C. J. Serpell, N. L. Kilah, P. J. Costa, V. Felix and P. D. Beer, Angew. Chem. Int. Ed. Engl., 2010, 49, 5322-5326.[link]
  • S. M. Santos, P. J. Costa, M. D. Lankshear, P. D. Beer and V. Felix, J. Phys. Chem. B, 2010, 114, 11173-11180.[link]
  • N. M. Micaelo, A. L. Macedo, B. J. Goodfellow and V. Felix, J. Mol. Graph. Model., 2010, 29, 396-405.[link]
  • C. Cruz, V. Calisto, R. Delgado and V. Felix, Chem. Eur. J., 2009, 15, 3277-3289.[link]
  • M. D. Lankshear, I. M. Dudley, K. M. Chan, A. R. Cowley, S. M. Santos, V. Felix and P. D. Beer, Chem. Eur. J., 2008, 14, 2248-2263.[link]
  • H. Adams, P. J. Costa, M. Newell, S. J. Vickers, M. D. Ward, V. Felix and J. A. Thomas, Inorg. Chem., 2008, 47, 11633-11643.[link]
  • C. Cruz, R. Delgado, M. G. Drew and V. Felix, J. Org. Chem., 2007, 72, 4023-4034.[link]
  • V. Felix, M. G. Drew, P. R. Webber and P. D. Beer, Phys. Chem. Chem. Phys., 2006, 8, 521-532.[link]

international research collaborations

Professor Paul D. Beer [link]

Inorganic Chemistry, Department of Chemistry

University of Oxford


Professor Jim A. Thomas [link]

Reader in Coordination Chemistry

University of Sheffield


Professor Phil A Gale [link]

Head of Chemistry, Professor of Supramolecular Chemistry

University of Southampton


Doctor Roberto Quesada [link]

Departamento de Química de la Facultad de Ciencias

Universidad de Burgos


Professor Raj Pal Sharma [link]

Department of Chemistry

University of Panjab

national research collaborations

Doutora Cristina Moiteiro [link]

Departamento de Química e Bioquímica

Univeridade de Lisboa -  Faculdade de Ciências


Doutora Paula Brandão [link]

Departamento de Química

Universidade de Aveiro


Anion transmembrane transport promoted by drug-like molecules: building a library of anion carriers inspired in Ataluren (PTC124) (PTDC/QEQ-SUP/4283/2014)

CoordinatorFundação para a Ciência e a Tecnologia

Development of azacalix(hetero)arene transporters for mediated anionic flux across membranes: a novel approach for studying ionic passive diffusion (PTDC/QUI-QUI/101022/2008)

CoordinatorFundação para a Ciência e a Tecnologia
Transmembrane anion transport Aza-bridged calix(hetero)aromatic receptors Anion binding Supramolecular chemistry

Molecular design of novel aza-bridged calixarene receptors for medicinal chemistry: encapsulation of lanthanide ions and chiral resolution of drugs (PTDC/QUI/68582/2006)

CoordinatorFundação para a Ciência e a Tecnologia
Azacalix[2]arene[2]triazine Lanthanide complexes Molecular recognition Enantioselective resolution

Molecular hybrids of polyoxometalates and dipolar organic molecules: synthesis, characterization and determination of non-linear optical properties (POCTI/CTM/37713/2001)

PartnerFundação para a Ciência e a Tecnologia
polyoxometalate optical nonlinearity organic/inorganic hybrid nonlinear optical materials

Molecular recognition of phthalate and phthalic acid esters pollutants by ditopic receptors or by cascade dicopper systems (POCI/QUI/56569/2004)

Local CoordinatorFundação para a Ciência e a Tecnologia
Molecular recognition macrocycles and cryptands Supramolecular Chemistry phthalate and phthalic acid esters

Structural and functional studies of the soul/hbp family of heme-binding proteins (PTDC/QUI/64203/2006)

PartnerFundação para a Ciência e a Tecnologia
heme binding NMR SOUL/HBP family structure and function


Cationic cobalt(III) complex as anion receptor for biologically important anion: Synthesis, characterization and X-ray structure of [Co(phen)(3)](C(7)H(4)NSO(3))(3).8.5H(2)O where C(7)H(4)NSO(3) = saccharinate ion

Singh, A; Sharma, RP; Brandao, P; Felix, V; Venugopalan, P
2008, JOURNAL OF MOLECULAR STRUCTURE, 891, 1-3, 396-403.

Second sphere coordination in anion binding: Synthesis, characterization of [Co(phen)(2)CO3]X center dot nH(2)O where X = o-nitrophenolate(onp), p-nitrophenolate(pnp), 2,4-dinitrophenolate(dnp), 2,4,6-trinitrophenolate(tnp) and single crystal X-ray structures of [Co(phen)(2)CO3](onp)center dot 2H(2)O and [Co(phen)(2)CO3](dnp)center dot 4.5H(2)O

Singh, A; Sharma, RP; Brandao, P; Felix, V; Venugopalan, P
2008, JOURNAL OF MOLECULAR STRUCTURE, 892, 1-3, 452-460.

Mixed Valence Creutz-Taube Ion Analogues Incorporating Thiacrowns: Synthesis, Structure, Physical Properties, and Computational Studies

Adams, H; Costa, PJ; Newell, M; Vickers, SJ; Ward, MD; Felix, V; Thomas, JA
2008, INORGANIC CHEMISTRY, 47, 24, 11633-11643.

Anion induced and inhibited circumrotation of a [2]catenane

Ng, KY; Felix, V; Santos, SM; Rees, NH; Beer, PD
2008, CHEMICAL COMMUNICATIONS, 11, 1281-1283.

Sulfate anion templation of a neutral pseudorotaxane assembly using an indolocarbazole threading component

Chmielewski, MJ; Zhao, LY; Brown, A; Curiel, D; Sambrook, MR; Thompson, AL; Santos, SM; Felix, V; Davis, JJ; Beer, PD
2008, CHEMICAL COMMUNICATIONS, 27, 3154-3156.

Sulfate anion-templated assembly of a [2]catenane

Huang, BQ; Santos, SM; Felix, V; Beer, PD
2008, CHEMICAL COMMUNICATIONS, 38, 4610-4612.

Cyclam derivatives containing three acetate pendant arms: synthesis, acid-base, metal complexation and structural studies

Lima, LMP; Delgado, R; Drew, MGB; Brandao, P; Felix, V
2008, DALTON TRANSACTIONS, 46, 6593-6608.

Immobilisation of eta(3)-allyidicarbonyl complexes of Mo-II with bidentate nitrogen ligands within aluminium-pillared clays

Alonso, JC; Neves, P; Silva, C; Valente, AA; Brandao, P; Quintal, S; de Brito, MJV; Pinto, P; Felix, V; Drew, MGB; Pires, J; Carvalho, AP; Calhorda, MJ; Ferreira, P

Binding studies of a protonated dioxatetraazamacrocycle with carboxylate substrates

Carvalho, S; Delgado, R; Drew, MGB; Calisto, V; Felix, V
2008, TETRAHEDRON, 64, 22, 5392-5403.

Cascade dicopper architectures of a dibenzodioxatetraazamacrocycle

Carvalho, S; Delgado, R; Drew, MGB; Felix, V; Figueira, M; Henriques, RT
2008, POLYHEDRON, 27, 2, 679-687.

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