Dear all,
suddenly (i believe after the latest update of Windows 10) when starting
ccp4i2 I receive the following message:
**
C:\CCP4-7>ccp4i2
CCP4:C:\CCP4-7\7.0
CCP4_SCR:C:\ccp4temp
CCP4I_TCLTK: C:\CCP4-7\
Le Vendredi 27 Avril 2018 14:51 CEST, vincent Chaptal
a écrit:
Just a little remark (I hope I'm not splitting hairs): it is not exact that the
alkyl chain "creates a lot of entropy". Instead the mark of dissolution of
hydrophobic compounds in aqueous solvent is a strong decrease of entropy du
Dear all,
I would like to draw your attention to PhD and postdoc opportunities at Oxford
University. We work on the structures and functions of brain receptors.
Information on the lab is found here: http://seiradake.web.ox.ac.uk/home
Links to the available posts are here: http://seiradake.web.o
Dear All (particulary OS X users)
A heads up for mac users of DUI, There seems to be a issue (but not every
time, and not when we were testing :-) with an illegal access in boost_adaptbx.
As the output will testify setting BOOST_ADAPTBX_FPE_DEFAULT=1 allows
continuation.
Thanks Graeme for s
Thanks for the thoughtful thought. The alkyl chain has 8 carbons. The scaffold
that the alkyl chain attached to has 3 hydrogen bonds donors and 3 H-bond
acceptors and with one phenyl ring. The overall cLogP is around 4 — slightly
higher than the Lipinski's rule of five. Yes, I have planed to run
Dear Wenhe,
A thought came to mind after having read all the other threads, for
which I generally agree.
An alkyl chain on a molecule (charged? hydrophilic?, you mention a
negatively charged binding site) will most likely not lead to micelle
formation as the cmc of the object will be most like
Dear Hermann
Could you please advise where you are based, and I can then get the appropriate
Waters specialists to contact you to discuss the options.
Best regards
Jas Mahey
TA Instruments - a Division of Waters Ltd.
-Original Message-
From: CCP4 bulletin board On Behalf Of Markus He
Dear All
the latest update is available
* monomer library
- fixes for ASN, etc
* dui (release under osx and linux, alpha under windows)
- new interface for DIALS
* DIALS
- 1.9.2
* XIA2
- 0.5.542
* aimless
- 0.7.1
* ccp4i2
- minor interface fixes
* ccp4i
- minor interface fixes
* phaser
- m
Long alkyl chains tend to bad things to hang onto any compound, if it's
to be biologically useful. Go consult your friendly local medicinal
chemist, chances are they'll freak out.
Anyway, long alkyl chains LOVE binding to surfaces, which is of course
exactly the sort of thing that generates
Dear BB,
Tomorrow is the abstract deadline for the Gordon Research Seminar in
Diffraction Methods 2018 at Bates College, Maine (28-29th July 2018).
Applications/abstracts received after this date (28th April) will still be able
to attend and present posters, but will not be considered for oral
we also do structure-activity relationship and rational drug design. And I
agree with Christian: never rely on one single method and try to include a
homogenous assay, such as ITC or FT. you mention a tyrosine involved in the
binding pocket. Did you try to track the Tyr in FT?
best, matthias
_
Anectodal evidence I have heard from colleagues working with things, which
are immobilized is that the measured Kd value on the surface can be wildly
different from what is measured in solution. A superbinder on a surface
might not be as good in solution. There seems still a lot of debate why
that
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