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Giancarlo Franzese <[log in para visualizar]>
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Mon, 17 Feb 2020 13:13:43 +0100
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De posible interés para los miembros de la lista.


-------- Forwarded Message --------
Subject:        FEBS Advanced course "Macromolecule MD simulations for
Interdisciplinary Beginners"
Date:   Mon, 17 Feb 2020 11:22:56 +0100
From:   Babak Minofar <[log in para visualizar]>

Dear colleagues and friends,

On behalf of the organizers, I would like to announce the " FEBS
advanced course Macromolecule MD simulations for Interdisciplinary
Beginners", which will be held on 6–12 September 2020 in Nove Hrady,
Czech Republic.

The advanced course Macromolecule MD simulations for Interdisciplinary
Beginners is aimed at novice practitioners of molecular simulations at
the graduate or early postdoctoral level.

Please distribute the announcements to your colleague and other people
who may be interested in the course.

Molecular dynamics (MD) simulations of macromolecules and their
interactions with drugs and other small-molecule ligands have advanced
greatly in the recent past. Many current examples illustrate that
computational approaches can suggest testable molecular hypotheses to
explain experimentally observed behaviors and shed light on molecular
processes. Simulations of even very large systems are now within reach,
and standardization has made it possible for novice users to learn how
to apply MD methods to any suitable system.

The course consists of theoretical lectures that will introduce
differently computational methods and approaches used to study a wide
range of biomolecular systems and give students a theoretical foundation
in each method.  Then each method will be introduced during practical
sessions in a PC classroom when participants will learn the practical
steps of the work with different programs (like Gromacs, Amber, VMD,
Schrodinger package, etc.) and they will be able to try
various computational methods on the actual biomolecular systems. The
participants will also have the opportunity to apply the computational
methods to the biomolecular system of their interest.
Particular focus will be given to the study of the interaction between
bio-macromolecules and ligands, molecular docking, and parametrization
of various different ligands for the empirical force fields used in MD
simulations. Additionally, we will teach how to set up the simulation of
membrane proteins, and students will also learn the basics of
coarse-grained simulations.
The advanced course will be held at the Academic and University Center
at Nove Hrady, the Czech Republic, which has a  history of organizing
FEBS practical courses, namely the course "Advanced Methods in
Macromolecular Crystallization" organized since 2004 every second year
and "Ligand-binding theory and practice" in 2014, 2016, 2018. Nove Hrady
is located in the south of the Czech Republic. The Academic and
University Center resides in a very stylish chateau, which provides many
facilities such as two lecture halls, laboratories, apartments, and a
student dormitory.

More information available at

Best regards

Babak Minofar, David van der Spoel, Sarah Harris, Victor Guallar


                   Dr. Babak Minofar
of Center for Nanobiology and Structural Biology,
Institute of Microbiology,
Academy of Sciences of the Czech Republic.
Faculty of Science,University of South Bohemia,
České Budějovice, Czech Republic
Phone: +420 389 033 801
Mobile: +420 777 874 938

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