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Welcome to the Computational Biology and Bioinformatics Lab at University of Macau

Molecular interactions play a pivotal role in all life processes. They are also central to the development of many applications in the field of drug design and  nanotechnology.  In our lab, our researches focus on developing computational techniques to model and to understand molecular interactions at interfaces, which include protein-ligand, protein-protein, protein-membrane, and protein-nanomaterial. 

Congratulations to Dr. Faraz 
updated: 05 May 2020

Our PhD student Faraz Shaikh has successfully passed the defense today. Congratulations to Dr. Faraz!!

Seminar: "Sinotools: a computational framework to analyze cancer genomic sequencing data for precision oncology" 
updated: 20 Sep 2019

Speaker: Prof. Bingding HUANG (College of Big Data and Internet, Shenzhen University)
Date: 19/09/2019
Time: 2:30PM -3:30PM
Venue: E12-G004 (University of Macau)

Congratulations to Faraz! 
updated: 22 Aug 2019

Faraz Mohammadali Shaikh, a PhD student from the Faculty of Science and Technology (FST), University of Macau (UM), recently discovered two Ebola virus drug candidates. The groundbreaking discovery has been validated by collaborators from the University of Oxford through biological experiments, attracting international attention. Shaikh was awarded the Carl Storm International Diversity Fellowship, which sponsored him to attend the 2019 Computer-Aided Drug Design Gordon Research Seminar (GRS) and the 2019 Computer-Aided Drug Design Gordon Research Conference (GRC) in the United States to present his findings, in order to help the medical industry develop more anti-Ebola drugs.

Seminar: "Computational protein design by accommodating flexibility and binding free energy in improving the affinity" 
updated: 27 July 2019

Speaker: Prof. Vannajan Sanghiran Lee (University of Malaya, Malaysia)
Date: 26/07/2019
Time: 3:00PM -4:00PM
Venue: E11-405 (University of Macau)

Chinese New Year Gathering Dinner 
updated: 9 Feb 2018

At the Thai Palace restaurant near to Ponte 16, Macau. Yummy food with good price. What is missing is Faraz....(Left to right, anticlockwise: Giotto, Michael, Jimmy, Yan, Pratiti and Shirley) Wish for good health, good life and good career in the Year of Dog)

Pratiti's and Yan's papers got accepted! Congratuations. 
updated: 10 Jan 2018

Thanks to all the hard work of Pratiti and Yan. This is perhaps the best gift at the beginning of the year: AmPEP: Sequence-based prediction of antimicrobial peptides using distribution patterns of amino acid properties and random forest, accepted by Scientific Reports

Open positions
updated: 02 Jun 2017

Faraz's research trip to University of Oxford for the Ebola project is on the news 
updated: 28 Sep 2016

Our PhD student Faraz Shaikh is currently on a research trip at the Unversity of Oxford, joining the research project about drug design for Ebola virus. Faraz will apply advanced molecular docking and lead optimization techniques as well as molecular dynamics simulations to find few potential lead molecules that can bind effectively to the recently discovered binding pocket at the Ebola glycoprotein by the same group. Faraz, good work and good luck!


Master thesis topics offered 
updated: 23 Aug 2016

We are offering three new master thesis topics, for both academic thesis and applied thesis to the master students of Department and Computer Information Science, FST. For details, please read the VACANCY page.

Congratulation to Wendy for Best Project award 
updated: 3 Jun 2016

Wendy's work on developing mobile controller for the PyMOL molecular visualization software has been awarded as one of the best bachelor final year projects this year. And now she is heading for her new job in Macau, all the best.

Press release
updated: 29 Apr 2016

Press release of this work at UM news, Macao Daily News and other local newspapers.

Congratulations to Faraz, Jimmy, Giotto & Allan
updated: 28 Apr 2016

Three papers, one by Faraz, one by Jimmy and one by Giotto & Allan have been accepted recently. Thanks for your great effort!!

Computational Studies of the Human Complement Component 5A Receptor: Identifying Novel Natural Compound Inhibitors by Homology Modeling and Virtual Screening  
Fara Shaikh and Shirley W. I. Siu* (accepted to publish in Medicinal Chemistry Research)

ProtPOS: A Python Package for the Prediction of Protein Preferred Orientation on a Surface  
Jimmy C. F. Ngai, Pui-In Mak, and Shirley W. I. Siu* (accepted to publish in Bioinformatics)

Improving the Efficiency of PSOVina for Protein-Ligand Docking by Two-Stage Local Search
Hio Kuan Tai, Hang Lin, and Shirley W. I. Siu* (accepted by WCCI2016/CEC2016)

CBBio at new UM Campus
updated: 24 Sep 2015

In front of the FST E11 building stone
From left, 2nd row: Allan, Jimmy, Shirley, Faraz, Michael
1st row: Wendy and Giotto

This is the first time ever that I feel our team is "in shape".

Inside the FST building

In front of our lab E11-1048, which is still under some construction. Looking foward to move-in in Oct.

Open positions

position in Computational Chemistry or Computational Biology  
updated: 09 Jul 2015

Fast Docking Software PSOVina 1.0 is released 

updated: 27 Jan 2015
The first version of our open-source fast docking tool PSOVina is released. It uses the particle swarm optimization (PSO) technique to quickly search for the optimal docking pose of a ligand based on the AutoDock Vina framework. Our tests show that PSOVina docks 51-60% shorter in time.

The bachelor project "Improving Protein-Ligand Docking by Particle Swarm Optimization" by Marcus Ng has been awarded as one of the five best final year projects in the CIS department and made into the Dean's Final Year Project List of 2013/2014. Congratuations to Marcus!!

Visit the faculty news page for details
updated: 30 June 2014
Project Funding
updated: 2 Jun 2017
Our works have been supported by the following research grants: