Dear Prof.= Dr. Andreas Klamt

Could= you please recorder as a video and share the lectures.

Naser Eltaher El= tayeb

On Sunday, 6 November 2016, 15:49, Andre= as Klamt klamt^^cosmologic.de <owner-chemistry-.-ccl.net> wrote:

Sent to CCL by: And= reas Klamt [klamt _ cosmologic.de]
Dear colleagues,

on Nov. 23rd = (afternoon) I will give a 4 hour COSMO-RS seminar for
theoreticians in o= ur offices in Leverkusen.

If you or some of your students/coworkers = should be interested, please
register by e-mail.

(On the followin= g day the will be a COSMOtherm software training.)

Best regards
<= br>Andreas

--
----------------------------------------------= ----

Prof. Dr. Andreas Klamt
CEO / Gesch=C3=A4ftsf=C3=BChrer
C= OSMOlogic GmbH & Co. KG
Imbacher Weg 46
D-51379 Leverkusen, Germa= ny

phone     +49-2171-731681
fax = ;     +49-2171-731689
e-mail     klamt*cos= mologic.de
web     www.cosmologic.de

= [University address: Inst. of Physical and
Theoretic= al Chemistry, University of Regensburg]

HRA 20653 Amtsgericht Koeln,= GF: Prof. Dr. Andreas Klamt
Komplementaer: COSMOlogic Verwaltungs GmbH<= br>HRB 49501 Amtsgericht Koeln, GF: Prof. Dr. Andreas Klamt

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<= br>

------=_Part_2437552_1989334049.1478443459208-- From owner-chemistry@ccl.net Sun Nov 6 14:17:00 2016 From: "Sebastian Kmiecik sebastian.kmiecik _ gmail.com" To: CCL Subject: CCL: 4 modeling methods to add to CCL list Message-Id: <-52481-161105175233-32567-sX6VHTxy7t0ZLLIfO2qvyg]|[server.ccl.net> X-Original-From: Sebastian Kmiecik Date: Sat, 5 Nov 2016 22:51:46 +0100 MIME-Version: 1.0 Sent to CCL by: Sebastian Kmiecik [sebastian.kmiecik*gmail.com] Dear CCL, We would like to point to a recent review on coarse-grained protein models and their applications, published in Chemical Reviews: http://pubs.acs.org/doi/abs/10.1021/acs.chemrev.6b00163. The review is focused on coarse-grained protein models that are effectively used in multiscale modeling pipelines (in a combination with classical all-atom modeling tools) for modeling of protein structure, interactions and dynamics. To learn more about the methods that we use in our team please visit: CABS-dock - web server for protein-peptide docking. It is freely available to all users at http://biocomp.chem.uw.edu.pl/CABSdock and there is no login requirement. CABS-dock performs simulation search for the binding site allowing for full flexibility of the peptide and small fluctuations of the receptor backbone in the default mode. In the advanced mode, CABS-dock also enables large-scale flexibility of protein receptor structure. CABS-dock animation movies are available at https://www.youtube.com/user/sek177 CABS-flex - web server for fast simulations of protein structure fluctuations. It is freely available to all users at http://biocomp.chem.uw.edu.pl/CABSflex and there is no login requirement. CABS-flex was shown to be an efficient alternative to classical all-atom molecular dynamics. Also, it has been shown, that relative fluctuations of protein residues obtained from CABS-flex are well correlated to those of NMR ensembles. CABS-flex animation movies are available at https://www.youtube.com/user/sek177 CABS-fold - web server for protein structure prediction from sequence only (*de novo* modeling) and also using alternative templates (consensus modeling). It is freely available to all users at http://biocomp.chem.uw.edu.pl/CABSfold and there is no login requirement. Except for template data, fragmentary distance restraints can also be incorporated into the modeling process. Aggrescan3D - web server for prediction of aggregation propensity in protein structures and rational design of protein solubility. It is freely available to all users at http://biocomp.chem.uw.edu.pl/A3D and there is no login requirement. In dynamic mode, A3D takes into account the flexibility of natural and designed proteins. Best regards and thank you for your interest, Sebastian Kmiecik