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Electrostatics

Surface Modifications by Field Induced Diffusion

Martin Olsen, Magnus Hummelgård, Håkan Olin

published 13 Jan 2012

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SDS Can Be Utilized as an Amyloid Inducer: A Case Study on Diverse Proteins

Javed Masood Khan, Atiyatul Qadeer, Sumit Kumar Chaturvedi, Ejaz Ahmad, Syed Arif Abdul Rehman, Samudrala Gourinath, Rizwan Hasan Khan

published 12 Jan 2012

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The ELBA Force Field for Coarse-Grain Modeling of Lipid Membranes

Mario Orsi, Jonathan W. Essex

published 16 Dec 2011

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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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