molUP Tutorial 1 – Start a QM/MM study

Gaussian software (commercial license) is used to study several types of molecular problems, namely catalytic mechanisms. However, if we are interested in studying an enzymatic mechanism, the number of atoms …

BioSIM-AR has 14 new molecules

We are glad to announce that BioSIMAR supports 14 new molecules that were requested by a teacher from a school in Famalicão. The following molecules were added: But-1-ene cis-But-2-ene trans-But-2-ene Isobutene …

BioSIM welcomes Rita Magalhães

BioSIM welcomes a new M. Sc. Student in Chemistry, Rita Magalhães. Rita’s work will focus on the identification of new drugs against biofilm formation and development, using docking, virtual screening, …

BioSIM researchers attend the UCIBIO Annual meeting

BioSIM researchers are attending the annual meeting of our Research Unit UCIBIO: https://www.requimte.pt/ucibio/training/ucibio-annual-meeting In this meeting, UCIBIO researchers from the various labs from Porto and Lisbon gather with representatives from …