Sorry for the delayed response -
The situation of 'normal' drug-lead molecule, no restriction of solvent
channel access, no other hindrance to mobility, and rapid on-rates
and/or/with a low Kd driving/maintaining the concentration gradient might be
considered almost optimal. But let us assume
systems and checking Compliance with our Code of
Conduct and Policies.
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Reza
Khayat
Sent: 27 June 2014 12:01
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Solvent channels
Hi,
I'd like to do some
: [ccp4bb] Solvent channels
Here you are starting to mix equilibrium arguments with the previous
kinetic arguments.
I don't think I am mixing them; both are relevant. If it cannot diffuse there,
forget the kinetics - necessary but not sufficient requirement.
Nonetheless, the fact that in high
figures eg 3-40.
Cheers, BR
Dale Tronrud
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
Keller, Jacob
Sent: Friday, June 27, 2014 3:07 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Solvent channels
And yet halides--even iodide
On 27/06/14 12:00, Reza Khayat wrote:
Hi,
I'd like to do some soaking experiments with a relatively large molecule. Can
someone suggest a program/method to display the solvent channels of a
crystal? We have the crystal structure. I'd like to see if the channels are
large
enough to allow the
Hi,
I'd like to do some soaking experiments with a relatively large molecule. Can
someone suggest a program/method to display the solvent channels of a
crystal? We have the crystal structure. I'd like to see if the channels are
large
enough to allow the molecule to travel to the hypothesized
of Reza Khayat
[rkha...@ccny.cuny.edu]
Sent: Friday, June 27, 2014 2:00 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Solvent channels
Hi,
I'd like to do some soaking experiments with a relatively large molecule. Can
someone suggest a program/method to display the solvent channels of a
crystal
are the easiest person to fool.
R. Feynman, 1974
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Boaz
Shaanan
Sent: Friday, June 27, 2014 2:26 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Solvent channels
Hi,
I'm not aware of a program
: Re: [ccp4bb] Solvent channels
Just a remark: diffusion is a slow and random-walk process. Particularly large
molecules in viscous media (PEG anybody?) move (diffuse) slowly in solution. To
simply extrapolate from the fact that the ligand is smaller than the solvent
channels to the odds
.
Herman
-Ursprüngliche Nachricht-
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Bernhard
Rupp
Gesendet: Freitag, 27. Juni 2014 15:00
An: CCP4BB@JISCMAIL.AC.UK
Betreff: Re: [ccp4bb] Solvent channels
Just a remark: diffusion is a slow and random-walk process
Sent: Friday, June 27, 2014 3:07 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Solvent channels
And yet halides--even iodide--permeate those same lysozyme crystals and
others entirely in 30--60 sec.
JPK
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK
@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Solvent channels
And yet halides--even iodide--permeate those same lysozyme crystals and
others entirely in 30--60 sec.
JPK
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
Bernhard Rupp
Sent: Friday
You can use CAVER but you would have to make all the symmetry mates as one
chain in order to fool it. Still better to just do the experiment I think.
Either it will work or it won't, regardless of what any software tells you.
Just a wild idea : )
On Fri, Jun 27, 2014 at 5:06 PM, Yarrow Madrona
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