566 reputation
310
bio website eutactic.wordpress.com
location Australia
age 28
visits member for 2 years, 4 months
seen Jun 4 '13 at 5:10

grad student, computational quantum chemistry

Interests include chemistry, high performance computing, graphics, art, typesetting, programming (python, Java, C#, XAML)


Dec
15
awarded  Yearling
Jan
1
awarded  Nice Answer
Dec
15
awarded  Yearling
Aug
14
awarded  Nice Question
May
10
answered Do trees really get a large share of their mass from the carbon in the air?
Apr
16
asked Does a theory exist for the formation of thylakoid structure?
Apr
8
awarded  Enlightened
Apr
8
awarded  Nice Answer
Apr
4
awarded  Nice Question
Apr
3
comment Quantum mechanics in biology
@quant_dev - That link from petachem shows the time evolution of a protein at an ab initio level of theory. I'm not well acquainted with the state of the art, but Car-Parinello molecular dynamics is a type of density functional theory that can handle potentially large molecules.
Apr
2
comment Quantum mechanics in biology
@quant_dev - please elaborate on what you mean
Apr
2
comment Quantum mechanics in biology
@quant_dev - unfortunately there's very little that isn't behind a paywall, but if you don't have an institutional subscription and are happy reading abstracts, this is a decent start. IIRC the authors looked at the active site and proximate protein environment of PSII using a QM simulation (spin-unrestricted density functional theory) embedded in a molecular mechanics simulation. This paper indicates that elements of PSII WOC kinetics are affected by the Jahn-Teller activity of Mn sites.
Apr
2
answered Quantum mechanics in biology
Mar
13
awarded  Critic
Feb
27
comment Evolutionary origin and exogenous cues of ~28 day infradian rhythm?
@nico - Ah, that shows what I know about estrus: I was under the impression that the estral cycle was a single seasonally-modulated cycle rather than a 'cycle within a cycle'. Also didn't know that the chimpanzee menstrual cycle was different. I suspected the periodicity of coral spawning might be an example of an evolutionarily early 28-day clock but wiki seems to suggest that that's a case of an exogenous trigger rather than entrainment.
Feb
22
revised Evolutionary origin and exogenous cues of ~28 day infradian rhythm?
tides
Feb
21
awarded  Student
Feb
21
asked Evolutionary origin and exogenous cues of ~28 day infradian rhythm?
Dec
21
comment Last-ditch efforts to maintain thermal homeostasis
Thermotaxis? :)
Dec
16
awarded  Editor