Location E11-1048
Academic Staff in charge Prof. Shirley W. I. SIU
Technician Hok Lam SIO, William; Francisco DE OLIVEIRA
Telephone (853) 8822-4285, 4295
Open Access Reservation Period Wednesday: 9:00 – 17:00
Laboratory Website https://cbbio.cis.um.edu.mo/


In the Computational Biology and Bioinformatics Laboratory, our focus is on the development and application of bioinformatics tools to solve complex biological problems.  In particular, we are interested in studying molecular recognition processes between protein-protein, protein-ligand, and protein-solid surface. The former two are important for understanding protein function as well as for rational drug design studies, while the latter is crucial for the engineering of nanomaterial and nano-devices.

Our current projects include

  • Structure prediction of transmembrane protein complexes from amino acid sequences
  • Docking pose prediction of small ligands in proteins
  • Optimization of the virtual screening pipeline for rational drug discovery
  • Orientation prediction of proteins on solid surfaces
  • Development of molecular force fields



  • HP Proliant BL460c Generation 8 (G8) 1x 24 cores cluster node with 64 GB RAM
  • Dell Precision T7610 workstation 2x Intel Xeon E5-2620 v2 six-core with 16 GB RAM
  • Intel Core i7 quad-core desktop computers such as HP Compaq 8300 and Dell XPS 8700
  • 13-inch MacBook Pro with 2.8GHz Dual-core Intel Core i7, 8 GB RAM


  • IDL (Interactive Data Language) for data visualization
  • GROMACS for molecular dynamics simulations

Courses supported

CISB366 Bioinformatics
CISB410 Final Year Project

Related Links

Homepage of P.I. https://www.cis.um.edu.mo/~shirleysiu