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Molecular dynamics

How Cholesterol Constrains Glycolipid Conformation for Optimal Recognition of Alzheimer's β Amyloid Peptide (Aβ_1-40)

Nouara Yahi, Anaïs Aulas, Jacques Fantini

published 05 Feb 2010

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Critical Structural and Functional Roles for the N-Terminal Insertion Sequence in Surfactant Protein B Analogs

Frans J. Walther, Alan J. Waring, Jose M. Hernandez-Juviel, Larry M. Gordon, Zhengdong Wang, Chun-Ling Jung, Piotr Ruchala, Andrew P. Clark, Wesley M. Smith, Shantanu Sharma, Robert H. Notter

published 13 Jan 2010

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Steered Molecular Dynamics Simulations Reveal the Likelier Dissociation Pathway of Imatinib from Its Targeting Kinases c-Kit and Abl

Li-Jun Yang, Jun Zou, Huan-Zhang Xie, Lin-Li Li, Yu-Quan Wei, Sheng-Yong Yang

published 24 Dec 2009

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Electroporating Fields Target Oxidatively Damaged Areas in the Cell Membrane

P. Thomas Vernier, Zachary A. Levine, Yu-Hsuan Wu, Vanessa Joubert, Matthew J. Ziegler, Lluis M. Mir, D. Peter Tieleman

published 23 Nov 2009

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Human Sirt-1: Molecular Modeling and Structure-Function Relationships of an Unordered Protein

Ida Autiero, Susan Costantini, Giovanni Colonna

published 08 Oct 2009

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Molecular Dynamics Simulation of Phosphorylated KID Post-Translational Modification

Hai-Feng Chen

published 05 Aug 2009

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Hsp70 Chaperones and Type I PRMTs Are Sequestered at Intranuclear Inclusions Caused by Polyalanine Expansions in PABPN1

João Paulo Tavanez, Rocio Bengoechea, Maria T. Berciano, Miguel Lafarga, Maria Carmo-Fonseca, Francisco J. Enguita

published 29 Jul 2009

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Lys169 of Human Glucokinase Is a Determinant for Glucose Phosphorylation: Implication for the Atomic Mechanism of Glucokinase Catalysis

Jian Zhang, Chenjing Li, Ting Shi, Kaixian Chen, Xu Shen, Hualiang Jiang

published 20 Jul 2009

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Molecular Dynamics Simulation of Ligand Dissociation from Liver Fatty Acid Binding Protein

Dong Long, Yuguang Mu, Daiwen Yang

published 30 Jun 2009

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The Spliceosomal Phosphopeptide P140 Controls the Lupus Disease by Interacting with the HSC70 Protein and via a Mechanism Mediated by γδ T Cells

Nicolas Page, Nicolas Schall, Jean-Marc Strub, Marc Quinternet, Olivier Chaloin, Marion Décossas, Manh Thong Cung, Alain Van Dorsselaer, Jean-Paul Briand, Sylviane Muller

published 23 Apr 2009

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Determining the Orientation of Protegrin-1 in DLPC Bilayers Using an Implicit Solvent-Membrane Model

Abdallah Sayyed-Ahmad, Yiannis N. Kaznessis

published 11 Mar 2009

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Regulation of Bestrophins by Ca²⁺: A Theoretical and Experimental Study

Agata Kranjc, Federico W. Grillo, Juraj Rievaj, Anna Boccaccio, Fabio Pietrucci, Anna Menini, Paolo Carloni, Claudio Anselmi

published 05 Mar 2009

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Similarity Measures for Protein Ensembles

Kresten Lindorff-Larsen, Jesper Ferkinghoff-Borg

published 15 Jan 2009

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