Which papers have you read so far?
Catch ya,
Dr. Dallas Warren
Drug Discovery Biology
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.war...@monash.edu
+61 3 9903 9304
-
When the only tool you own is a hammer, every problem begins to resemble a
nail.
> -Original Message-
> From: gmx-users-boun...@gromacs.org [mailto:gmx-users-
> boun...@gromacs.org] On Behalf Of Ahmet yildirim
> Sent: Monday, 15 July 2013 9:41 AM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] Figures of PCA analysis
>
> Can anybody help me understand these better?
>
>
> 2013/7/10 lloyd riggs
>
> > There vectors. Theres some good older papers explaining the whole
> thing
> > from Van Gunstern, Berendsen, and some other good ones from de Groot
> that
> > explain them well and includes combining them with other data
> analysis
> > types, but I dont remeber the actual publications. A few are in the
> mid
> > 1990's, however these explain PCA better than some of the newer
> ones...but
> > some extensive reading...or text books from van guntstern and/or
> Berendsen
> > explain the whole thing well, from the math to the actual "what it
> means"
> > aspect.
> >
> > *Gesendet:* Mittwoch, 10. Juli 2013 um 14:46 Uhr
> > *Von:* "Ahmet yıldırım"
> > *An:* "Discussion list for GROMACS users"
> > *Betreff:* [gmx-users] Figures of PCA analysis
> > Dear users,
> >
> > I have a few questions about PCA analysis. I see the figures below in
> the
> > most
> > of the publications:
> > 1.) Figure:Eigenvalues along the eigenvectors
> > This figure gives contribution of eigenvalues along the eigenvectors
> to the
> > overall motion of the protein???
> > 2.) Figure:the projection of the MD trajectories onto the first ten
> > principal components
> > This figure gives contribution of the first 10 eigenvectors to the
> overall
> > motion of the protein???
> > 3.)The projection of the MD trajectories onto the plane of the first
> and
> > the second principal components
> > This figure gives knowledge about conformational spaces of
> structures???
> >
> > Which one gives information about the motion of the structure?
> > Can anyone explain to me in detail what these figure are?
> > --
> > Ahmet Yıldırım
> > --
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>
>
> --
> Ahmet Yıldırım
> --
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