Biomolecular SIMulations Research Group
The BioSIM research group is organizing a two-day workshop on biomolecular simulations, including molecular dynamics, molecular docking & virtual screening, and quantum chemistry calculations. The workshop has a total duration …
Rita Magalhães is a master student at BioSIM research group and presented a poster entitled “Development of Specialized Virtual Screening Protocols for Inhibition of Quorum Sensing” at the IJUP 2019. …
We are happy to announce that BioSIM researcher Sérgio F. Sousa is guest editing a research topic on “The Chemistry of Biofilms and Their Inhibitors” for the Journal Frontiers in …
Tatiana Vieira and Carla Teixeira attended at “The 6th IEEE Portuguese Meeting on Bioengineering”, on February 22nd and 23rd, in “Instituto Superior de Engenharia de Lisboa” (ISEL) – Lisbon, Portugal. …
Procuram-se interessados em concorrer ao próximo concurso “FCT – Bolsas Individuais de Doutoramento” da Fundação para a Ciência e Tecnologia (FCT), a decorrer até 28 de Março de 2019. Até …
On the last week, a detailed tutorial about how to start a QM/MM study using molUP was published here. That tutorial finished with the creation of a Gaussian input file. …
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 …
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 …
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 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, …