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Electrostatics

Active Site Detection by Spatial Conformity and Electrostatic Analysis—Unravelling a Proteolytic Function in Shrimp Alkaline Phosphatase

Sandeep Chakraborty, Renu Minda, [ ... ], Basuthkar J. Rao

Concentration Dependent Ion Selectivity in VDAC: A Molecular Dynamics Simulation Study

Eva-Maria Krammer, Fabrice Homblé, Martine Prévost

Tyrosine Deprotonation and Associated Hydrogen Bond Rearrangements in a Photosynthetic Reaction Center

Hiroshi Ishikita

Effect of Surfaces on Amyloid Fibril Formation

Bradley Moores, Elizabeth Drolle, [ ... ], Zoya Leonenko

Catalytic Mechanism Investigation of Lysine-Specific Demethylase 1 (LSD1): A Computational Study

Xiangqian Kong, Sisheng Ouyang, [ ... ], Hualiang Jiang

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

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