-
peej06
on
November 09, 2009 10:00 AM
- User is Online
Computational prediction of protein tertiary structure
De novo or ab initio techniques for computational protein structure prediction is related to, but strictly distinct from, studies involving protein folding. Molecular Dynamics (MD) is an important tool for studying protein folding and dynamics in silico. Because of computational cost, ab initio MD folding simulations with explicit water are limited to peptides and very small proteins. MD simulations of larger proteins remain restricted to dynamics of the experimental structure or its high-temperature unfolding. In order to simulate long time folding processes (beyond about 1 microsecond), like folding of small-size proteins (about 50 residues) or larger, some approximations or simplifications in protein models need to be introduced. An approach using reduced protein representation (pseudo-atoms representing groups of atoms are defined) and statistical potential is not only useful in protein structure prediction, but is also capable of reproducing the folding pathways.
There are distributed computing projects which use idle CPU or GPU time of personal computers to solve problems such as protein folding or prediction of protein structure. People can run these programs on their computer or PlayStation 3 to support them. See links below (for example Folding@Home) to get information about how to participate in these projects.
-
peej06
on
November 09, 2009 10:04 AM
- User is Online
-
TuR0k
on
November 09, 2009 04:13 PM
kelan kaya gagawan ng OpenCL port ang Folding@Home? para at least, magamit at fully ma-utilize na yung computing power ng mga ATI vcards. sayang yung horsepower nila eh, sobrang under-utilized sa current build. hehehe
-
peej06
on
November 09, 2009 05:31 PM
- User is Online
yung gpu3 ata optimized ang ati cards, di ko lang alam kung kelan ang release
-
TuR0k
on
November 09, 2009 07:09 PM
OpenMM pa lang daw dude eh. after nila ma-implement yung OpenMM sa GPU3, dun pa lang nila sisimulang lagyan ng OpenCL extensions yung core.
tapos dun palang din natin malalaman kung sino talaga ang magaling pagdating sa folding: ATI o NVIDA (or surprise: Larrabee). hahaha! >:D
-
peej06
on
November 09, 2009 07:15 PM
- User is Online
malayo pa ang larrabee, and pang corporate lang yun gaya ng tesla/quadro, hehe
makahabol na kaya ang ati sa nvidia na matagal ng naghahari sa f@h? ehehe
-- edited by peej06 on Nov 09 2009, 10:42 PM
-
jedie
on
November 09, 2009 10:39 PM
LMAO! nitry ko yung F@h - GPU tapos biglang nag hang pc ko tapos blue screen tapos nag restart. may icconfigure pa ba dun?
-
jedie
on
November 11, 2009 12:10 AM
up
-
jedie
on
November 11, 2009 10:53 PM
ayan okay naman na. nagagamit ko na yung gpu. pero nag crash ulit siya kanina.wala lang.
up nalang ulit.
-
peej06
on
November 12, 2009 05:13 AM
- User is Online
akin din nagccrash kapag nagvview ako ng display, doon lang naman nagccrash sakin kapag view ng display, parang may problema ata dun, wait natin yung new client na gpu3, baka ok na doon yung problema, kaya hindi ko na vnview yung display kapag ngrrun ako ng f@h
-- edited by peej06 on Nov 12 2009, 10:18 AM
-
jedie
on
November 12, 2009 09:16 AM
ahh.. akala ko ako lang.:p sige po
-
TuR0k
on
November 16, 2009 12:35 PM
nung nag-GPU ako dati, ginawa ko lang console yung installation. di ko na sinama yung fancy protein graphics. kumakain pa rin yung ng processing units. hehehe...
try niyo mga tol, wala naman akong na-experience na client crash nung nag-console installation ako. hehehe