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 presented apps for Chemistry Teaching at the VII EDEDQ
On November 17th, Henrique S. Fernandes attended the “VII Encontro da Divisão de Ensino e Divulgação da Química” conference where he presented the oral communication “Desenvolvimento de Software com Aplicação …
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, …
Poster Award for Carla S. S. Teixeira at UCIBIO Annual Meeting
Carla S. S. Teixeira was awarded the 3rd prize for the best poster at the UCIBIO Annual Meeting that took place on 2018 September 28-29, at FCT in Lisbon. The prize …
BioSIM at the poster session of UCIBIO Annual Meeting
Carla S. S. Teixeira, Henrique S. Fernandes, and André F. Pina present their work at the UCIBIO Annual Meeting. Computational studies addressed to the catalytic mechanism of Tryptophan Synthase. An …
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 …
Special Issue “Structure and Function of Metalloenzymes” edited by BioSIM Researcher is Now Open to Contributions
A Special Issue of the Journal Molecules, entitled “Structure and Function of Metalloenzymes” and edited by Dr. Sérgio F. Sousa (BioSIM, FMUP) is now open to contributions. Metal ion cofactors …
New publication on the ACS Catalysis journal
The catalytic mechanism of the Serine Hydroxymethyltransferase – a computational ONIOM QM/MM study Henrique S. Fernandes, Maria João Ramos, and Nuno M. F. S. A. Cerqueira DOI: 10.1021/acscatal.8b02321 | ACS …
BioSIM Researcher Appointed for the Editorial Board – Journal Molecules
BioSIM Researcher Sérgio F. Sousa has been appointed Editorial Board Member of the Chemical Biology Section of the journal Molecules(IF: 3.098) http://www.mdpi.com/journal/molecules/sectioneditors/Chemical_Biology Molecules is the leading international peer-reviewed open access …