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SUMMARY:Investigations of biomolecular systems within the ISyMAB simulatio
 n framework
DTSTART;VALUE=DATE-TIME:20121019T113000Z
DTEND;VALUE=DATE-TIME:20121019T120000Z
DTSTAMP;VALUE=DATE-TIME:20261011T083034Z
UID:indico-contribution-163@indico.ipb.ac.rs
DESCRIPTION:Speakers: Ionut Vasile (IFIN-HH)\nISyMAB is an integrated fram
 ework that provides secured access to a distributed set of molecular dynam
 ics tools for modeling and simulation of large bio-systems using high-perf
 ormance computing. It relies upon open-source software (such as NAMD\, MMT
 SB tool set\, VMD) and in-house developed analysis scripts\, which are mad
 e available through a\nuser-friendly graphical interface.\n\nISyMAB brings
  a significant contribution to the optimization of the creation of the fil
 es needed by the job management system and the simulation description file
 s. Also\, it minimizes the time between successive runs\, making the nodes
  within the HPC clusters run with maximum efficiency.\n\nThe use and the p
 erformances of the framework is illustrated through the molecular dynamics
  study of an acid-sensing ion channel in a 200x200 Angstrom lipid bilayer 
 simulated within a 800 000 atoms system.\n\nhttps://events.saifa.rs/event/
 291/contributions/163/
LOCATION:National Library of Serbia
URL:https://events.saifa.rs/event/291/contributions/163/
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