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Electrostatics

Order through Disorder: Hyper-Mobile C-Terminal Residues Stabilize the Folded State of a Helical Peptide. A Molecular Dynamics Study

Kalliopi K. Patapati, Nicholas M. Glykos

published 20 Dec 2010

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Solution Structure and Dynamics of the I214V Mutant of the Rabbit Prion Protein

Yi Wen, Jun Li, Minqian Xiong, Yu Peng, Wenming Yao, Jing Hong, Donghai Lin

published 07 Oct 2010

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APBSmem: A Graphical Interface for Electrostatic Calculations at the Membrane

Keith M. Callenberg, Om P. Choudhary, Gabriel L. de Forest, David W. Gohara, Nathan A. Baker, Michael Grabe

published 29 Sep 2010

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Molecular Modeling-Based Evaluation of hTLR10 and Identification of Potential Ligands in Toll-Like Receptor Signaling

Rajiv Gandhi Govindaraj, Balachandran Manavalan, Gwang Lee, Sangdun Choi

published 16 Sep 2010

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Modeling-Dependent Protein Characterization of the Rice Aldehyde Dehydrogenase (ALDH) Superfamily Reveals Distinct Functional and Structural Features

Simeon O. Kotchoni, Jose C. Jimenez-Lopez, Dongying Gao, Vincent Edwards, Emma W. Gachomo, Venu M. Margam, Manfredo J. Seufferheld

published 12 Jul 2010

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Conformational Determinants of Phosphotyrosine Peptides Complexed with the Src SH2 Domain

Joseph Nachman, Gerry Gish, Cristina Virag, Tony Pawson, Régis Pomès, Emil Pai

published 21 Jun 2010

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Hydrophilicity Matching – A Potential Prerequisite for the Formation of Protein-Protein Complexes in the Cell

Mario Hlevnjak, Gordan Zitkovic, Bojan Zagrovic

published 17 Jun 2010

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Computational Study of Evolutionary Selection Pressure on Rainbow Trout Estrogen Receptors

Conrad Shyu, Celeste J. Brown, F. Marty Ytreberg

published 09 Mar 2010

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Mechanistic Issues of the Interaction of the Hairpin-Forming Domain of tBid with Mitochondrial Cardiolipin

François Gonzalvez, Fabrizio Pariselli, Olivier Jalmar, Pauline Dupaigne, Franck Sureau, Marc Dellinger, Eric A. Hendrickson, Sophie Bernard, Patrice X. Petit

published 22 Feb 2010

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Helical Chirality: a Link between Local Interactions and Global Topology in DNA

Youri Timsit, Péter Várnai

published 19 Feb 2010

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A Computational Study of a Recreated G Protein-GEF Reaction Intermediate Competent for Nucleotide Exchange: Fate of the Mg Ion

Mériam Ben Hamida-Rebaï, Charles H. Robert

published 18 Feb 2010

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Modulation of Alpha-Synuclein Aggregation by Dopamine Analogs

Diane Latawiec, Fernando Herrera, Alpan Bek, Valeria Losasso, Michela Candotti, Federico Benetti, Elvio Carlino, Agata Kranjc, Marco Lazzarino, Stefano Gustincich, Paolo Carloni, Giuseppe Legname

published 16 Feb 2010

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An Electrostatically Preferred Lateral Orientation of SNARE Complex Suggests Novel Mechanisms for Driving Membrane Fusion

Ting Guo, Lin-Chen Gong, Sen-Fang Sui

published 26 Jan 2010

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