Category Archives: Software

The school will provide an opportunity to learn basic and advanced analysis performed with AQUA-DUCT (hands-on), and additionally to perform preliminary analysis or set properly the system on their own interests. Participation is free of charge/ REGISTRATION DEADLINE15 March 2020 CHOSEN PARTICIPANTS WILL BE NOTIFIED BY1 April 2020 Submission deadline for data samples for the hands-on sessions15 April 2020 SUMMER SCHOOL 22-25 June 2020 More information and registration: http://www.aquaduct.pl/summer-school/

The new version of AQUA-DUCT is combining information from small  ligands tracking and from small ligands local distribution. New modes of AQUA-DUCT MD data processing: normal, sandwich, time-window and consolidator mode. Pond module for hot-spots identification facilitating protein engineering and drug design, Energy barrier approximation. Graphical User Interface. Kraken module for fast data analysis. Bug fixes and code cleanup. For more visit an AQUA-DUCT web site.

The overview of AQUA-DUCT software was presented at School of Biomolecular Science and Engineering in Vidyasirimedhi Institute of Science and Technology (VISTEC), Wangchan Valley, Rayong, Thailand. More information here.

The Workshop on Biorefinery Enzymes for Renewable Chemicals: From Discovery to Industrial Applications, has just started at BIOTEC, Bangkok, Thailand. Four days of intensive training is planned, two days of lectures and two days of workshop. The computational part of the workshop is held by us. More information you can find on the Workshop webpage.

An AQUA-DUCT will be presented during Application Track session at ECCB2018. Please visit also our work on LinB enzyme during poster session. More information on the conference website.