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Electrostatics

Effects of Single Nucleotide Polymorphisms on Human N-Acetyltransferase 2 Structure and Dynamics by Molecular Dynamics Simulation

M. Rajasekaran, Santhanam Abirami, Chinpan Chen

published 29 Sep 2011

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Meet Me on the Other Side: Trans-Bilayer Modulation of a Model Voltage-Gated Ion Channel Activity by Membrane Electrostatics Asymmetry

Loredana Mereuta, Alina Asandei, Tudor Luchian

published 27 Sep 2011

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Diffusion of Myosin V on Microtubules: A Fine-Tuned Interaction for Which E-Hooks Are Dispensable

Dennis Zimmermann, Basma Abdel Motaal, Lena Voith von Voithenberg, Manfred Schliwa, Zeynep Ökten

published 26 Sep 2011

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Molecular Dynamics of Mesophilic-Like Mutants of a Cold-Adapted Enzyme: Insights into Distal Effects Induced by the Mutations

Elena Papaleo, Marco Pasi, Matteo Tiberti, Luca De Gioia

published 07 Sep 2011

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C-Terminal Substitution of MDM2 Interacting Peptides Modulates Binding Affinity by Distinctive Mechanisms

Christopher J. Brown, Shubhra G. Dastidar, Soo T. Quah, Annie Lim, Brian Chia, Chandra S. Verma

published 31 Aug 2011

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Evaluation of Two Models for Human Topoisomerase I Interaction with dsDNA and Camptothecin Derivatives

Gary S. Laco

published 30 Aug 2011

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In Silico Approach to Inhibition of Signaling Pathways of Toll-Like Receptors 2 and 4 by ST2L

Shaherin Basith, Balachandran Manavalan, Rajiv Gandhi Govindaraj, Sangdun Choi

published 29 Aug 2011

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Computational Study of the Human Dystrophin Repeats: Interaction Properties and Molecular Dynamics

Baptiste Legrand, Emmanuel Giudice, Aurélie Nicolas, Olivier Delalande, Elisabeth Le Rumeur

published 25 Aug 2011

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Testing the Applicability of Nernst-Planck Theory in Ion Channels: Comparisons with Brownian Dynamics Simulations

Chen Song, Ben Corry

published 23 Jun 2011

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Interaction of β-Sheet Folds with a Gold Surface

Martin Hoefling, Susanna Monti, Stefano Corni, Kay Eberhard Gottschalk

published 07 Jun 2011

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Polymorphic Structures of Alzheimer's β-Amyloid Globulomers

Xiang Yu, Jie Zheng

published 07 Jun 2011

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Bacterial Surface Appendages Strongly Impact Nanomechanical and Electrokinetic Properties of Escherichia coli Cells Subjected to Osmotic Stress

Grégory Francius, Pavel Polyakov, Jenny Merlin, Yumiko Abe, Jean-Marc Ghigo, Christophe Merlin, Christophe Beloin, Jérôme F. L. Duval

published 31 May 2011

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Multiple pH Regime Molecular Dynamics Simulation for pK Calculations

Lennart Nilsson, Andrey Karshikoff

published 27 May 2011

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