Ankündigung

Übung am 29.11.2017 und 06.12.2017  im CIP Raum (46-306): RHRK-Account erforderlich!

Vorträge:

Datum wird bekannt gegeben

• Viviane S.:
  G.  Xiaotian Sun, Zhiwei Feng, Liling Zhang, Tingjun Hou, Youyong Li: The Selective Interaction between Silica Nanoparticles and Enzymes from Molecular Dynamics Simulations, PLoS One 9 (2014) e107696
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• Marco T.:
  Stefan Gekle. Wasser in Grenzen, Physik-Journal 14, no. 11 (2015) 29
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• Maren H.:
  Adam Hospital, Michela Candotti, Josep Lluís Gelpí, and Modesto Orozco: The Multiple Roles of Waters in Protein Solvation, The Journal of Physical Chemistry B 121 (2017) pp 3636–3643
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Vorlesung

Vorlesung 1

Vorlesung 2

Literatur zur Vorlesung:

• A. R. Leach. Molecular modelling - principles and applications (Pearson Education Ltd., Harlow, 2001), 2. Aufl. Contains also applications on "biological systems".
• F. Jensen: Introduction to Computational Chemistry (Wiley 2007). Focus on methods in computational chemistry. Good introductory book if you want to focus on chemistry applications
• D. Frenkel und B. Smit. Understanding molecular simulation (Academic, San Diego, 2002), 2. Aufl. Fairly recent book. Very good background and theory on MD, MC and Stat Mech. Applications are mainly on molecular systems
• W. Demtröder. Molekülphysik (Oldenbourg, München, 2003). For the physics of small molecules.
• M.P. Allen and Tildesley, "Computer Simulation of Liquids", Oxford Science Publishers. (mainly MD) Excellent book on Molecular Dynamics Simulation. Explains well the relevant Statistical Mechanics. A must if you will be doing MD.
• C. J. Cramer: Essentials of Computational Chemistry - Theories and Models (Wiley, Chichester, 2004) 2nd edition. With a focus on chemistry issues.