13-12-2017: We are now editing a Special Issue “GPCR Mechanism and Drug Design” for Molecules (MDPI). This Special Issue aims to collect new reports and insights from computational and experimental researchers on specific problems of great significance in GPCR signaling. The fundamental concept of “functional selectivity” or “ligand bias”, e.g., the molecular mechanisms for selectivity for different pathways and the design of new drugs targeting these pathways, is of enormous interest in molecular pharmacology, cell physiology, and drug development. Contributions to this issue, both in the form of original research or review articles, may cover all aspects of GPCR mechanism and drug design and multidisciplinary studies are particularly welcome.
12-12-2017: We are editing a Special Issue “Modulation of Protein-protein Interactions for Development of Effective Therapeutics – from a Joint Perspective of Experiment and Computation” for Current Topics of Medicinal Chemistry.
02-11-2017: A new chapter was accepted at Encyclopedia of Analytical Chemistry: “Computational tools for the structural characterization of proteins and their complexes from sequence-evolutionary data”
01-11-2017: EJIBCE2017 registration is now open.
02-10-2017: A new chapter was just published at Neuromethods.
19-09-2017: A new position for a researcher to join the group is open.
18-09-2017: We welcome Pedro Filipe, a new student in the lab.
15-09-2017: Antonio and Jose just defended their Master thesis, achieving a score of 20 out 20. Congratulations!
11-09-2017: We welcome Nicia Ferreira, a new Ph.D co-supervised in the lab.
06-09-2017: Check new Methods in Cell Biology chapter on GPCRs.
23-9-2017: Check a new paper describing HADDOCK performance in the D3R Grand Challenge 2 published at J Comput Aided Mol Des .
17-08-2017: Check our new Scientific Reports article describing SpotOn, a web server to identify and classify interfacial residues as Hot-Spots (HS) and Null-Spots (NS).
17-08-2017: Beatriz Bueschbell, a Trainee from Bonn University will join the lab on September 4th.
17-07-2017: The first paper by two master student’s, Antonio and Jose, is already online. Free available until September 9th in the link above.
09-06-2017: Applications to the 2017 Summer School in Computational Biology are now open.
06-04-2017: Our paper on IJMS is on the top 10% of all research outputs ever tracked by Altmetric.
01-03-2017: A new master student joined the lab.
01-03-2017: A new rotation student joined the lab.
27-12-2016: Our latest paper on IJMS has reached more than 500 views.
23-12-2016: Irina Moreira was selected to an oral presentation at Biophysical Society Meeting 2017.
21-12-2016: Jose Almeida was selected to an oral presentation at EJIBCE 2016.
18-07-2016: Three new collaborative papers were published recently.
01-07-2016: A new graduate student joined the lab.
07-06-2016: Two new masters students joined the lab.
27-11-2015: We have a new position for a researcher to joint the group.
30-10-2015: The third edition of EJIBCE will be held at Coimbra on December 18th.
07-10-2015: Giulia Morra, Irina Moreira and Ozge Sensoy were granted 1.100.000 CPU hours at CINECA by the ISCRA programme.
06-10-2015: IS moreira presented “Structural/energetic analysis of protein-based interactions: highlighting the electrostatics contribution” at the workshop: Multiple Faces of Biomolecular Electrostatics, USA, October, 12th-16th 2015.
08-09-2015: IS Moreira presented “Insights into the plasticity and adaptability of protein-protein interfaces” at the 25 th Intl. BIOMOS Symposium on Biomolecular Simulation, Ausserberg, September, 9th-11th 2015.
01-07-2015: 2015 Summer School in Computational Biology was held at Coimbra (Portugal), September 2-11, 2015. Check the link for more informations: http://www.uc.pt/en/iii/initiatives/cbuc/curso
29-05-2015: Our recent review: “The role of water occlusion for the definition of a protein binding hot-spot” within the special issue “Protein Interfaces as targets in drug discovery” at CTMC is already online.
04-04-2015: An experimental collaborative paper was accepted at Chemical Biology and Drug Design Journal.