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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, Lipika Salaye, Swapan K. Bhattacharjee, Basuthkar J. Rao

published 08 Dec 2011

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

Eva-Maria Krammer, Fabrice Homblé, Martine Prévost

published 02 Dec 2011

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

Hiroshi Ishikita

published 24 Oct 2011

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Effect of Surfaces on Amyloid Fibril Formation

Bradley Moores, Elizabeth Drolle, Simon J. Attwood, Janet Simons, Zoya Leonenko

published 10 Oct 2011

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

Xiangqian Kong, Sisheng Ouyang, Zhongjie Liang, Junyan Lu, Liang Chen, Bairong Shen, Donghai Li, Mingyue Zheng, Keqin Kathy Li, Cheng Luo, Hualiang Jiang

published 30 Sep 2011

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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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