Biomolecular SIMulations Research Group
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 …