Computer simulations to aid rational enzyme engineering
Enzymes are highly selective biological catalysts that enable virtually all chemical reactions in life. Despite their vast potential, industrial applications might be restricted to several catalytic features, since these biocatalysts have evolved to function optimally under biological conditions.
Elucidating allosteric regulations by means of computer simulations
Combining coevolutionary information, molecular simulations and free-energy methods to elucidate and quantify allosteric regulation.
PELE Platform 1.6 is here
PELE Platform is a suite of packages that aims to find novel solutions to drug discovery problems in a matter of hours... And we just released a new version!
Bioactivity descriptors for uncharacterized chemical compounds
The SBNB group at IRB has been working on a deep neural networks methodology to infer bioactivity signatures of small molecule ligands with little experimental data available.
Exciting news: AlphaFold code released
Predicting protein structures based solely on amino acid sequences has been the holy grail of biology for decades. Learn how AlphaFold changed the field.
Science internship opportunities
Are you studying sciences? Are you interested in simulations? Do you like (bio)chemistry, informatics and physics? Then, do not hesitate to contact the NBD team for performing Internships as well as BSc and MSc theses.
Impact of DNA methylation on the 3D structure of the genome
Our co-founder Prof. Modesto Orozco has led a study that demonstrates that DNA methylations intrinsically modulate genome structure and function by increasing its overall rigidity.
State-of-the-art enzyme engineering by structure-based modelling techniques
Enzymatic processes are key to providing biotechnological solutions in the immediate future of our society, tackling clean energy production, bioremediation...
Why it’s important to get the right lead molecule
The success of a new drug campaign is highly dependent on the selection of lead series very early on in the drug discovery process. Find out how we can help!
Emerging trends: Covalent inhibitors
With over 50 approved drugs currently on the market, covalent inhibitors seem to be a hot topic! Find out what all the fuss is about and we’re doing to stay on top of things.
PyDock featured in HiPEAC magazine
We are in the January issue of the HiPEAC magazine, presenting our PyDock technology for drug design and discovery.
Check it out!
Javier Iglesias appointed as the new leader of the Enzyme Engineering division
Dr. Iglesias, who recently joined NBD as Project Manager for the Nucleic Acids Division, has been internally promoted to substitute the...
New exciting publication from our Enzyme Engineering division: glycosyltransferase catalysis
Check the new article of our employee Joan Coines, in which he engineered a glycosyltransferase able to efficiently catalyze N-, O- or S-glycosylation.