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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

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

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

Dennis Zimmermann, Basma Abdel Motaal, [ ... ], Zeynep Ökten

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

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

Christopher J. Brown, Shubhra G. Dastidar, [ ... ], Chandra S. Verma

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

Gary S. Laco

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

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

Baptiste Legrand, Emmanuel Giudice, [ ... ], Elisabeth Le Rumeur

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

Chen Song, Ben Corry

Interaction of β-Sheet Folds with a Gold Surface

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

Polymorphic Structures of Alzheimer's β-Amyloid Globulomers

Xiang Yu, Jie Zheng

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

Grégory Francius, Pavel Polyakov, [ ... ], Jérôme F. L. Duval

Multiple pH Regime Molecular Dynamics Simulation for pK Calculations

Lennart Nilsson, Andrey Karshikoff

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