WELCOME TO THE WEBSITE OF THE

MOLECULAR MODELLING AND COMPUTATIONAL BIOPHYSICS GROUP

Mission


The Molecular Modelling and Computational Biophysics Group is focused in many research subjects intimatelly related with health sciences, taking advantage of an extensive know-how and expertise on molecular modelling techniques (comprising, but not limited to, Molecular Dynamics simulations and Quantum Mechanics Calculations).

Research Group


Professor Vitor Felix

Group Leader

Igor Marques

PhD student

Liliana Ferreira

Grantee


Pedro Costa

Grantee

Margarida Miranda

MSc student

Find out more information about our group Pre-achaean

Research Interests


Membranes

Molecular Dynamics Simulations

Drug Design

Molecular Dynamics Simulations

Interlocked structures

Molecular Dynamics Simulations

Health

Molecular Dynamics Simulations

Publications


Nat Chem, 2014, 6, 1039-1043,
Doi: 6059830866.

Halogen bonding in water results in enhanced anion recognition in acyclic and rotaxane hosts

Soft Matter, 2014, 10, 3608-3621,
Doi: 260-846-5145.

Tris-thiourea tripodal-based molecules as chloride transmembrane transporters: insights from molecular dynamics simulations

J Med Chem, 2013, 56, 8674-8683,
Doi: 10.1021/jm401119b.

Structural studies on dinuclear ruthenium(II) complexes that bind diastereoselectively to an antiparallel folded human telomere sequence

Chem. Sci., 2013, 4, 103-117,
Doi: 10.1039/c2sc21112b.

Chloride, carboxylate and carbonate transport by ortho-phenylenediamine-based bisureas

See all our publications 505-427-6888

Collaborations


The Molecular Modelling and Computational Biophysics Group has several national and international collaborations. Know more about our collaborators (386) 200-7383.

Get in touch




Molecular Modelling Group
Universidade de Aveiro
Campus Universitario de Santiago
Agra do Crasto - Edificio 30
3810-193 Aveiro - Portugal

Phone: +351 234 247 254
Email: 306-575-9498