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Electrostatics

Energetic Changes Caused by Antigenic Module Insertion in a Virus-Like Particle Revealed by Experiment and Molecular Dynamics Simulations

Lin Zhang, Ronghong Tang, Shu Bai, Natalie K. Connors, Linda H. L. Lua, Yap P. Chuan, Anton P. J. Middelberg, Yan Sun

published 12 Sep 2014

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Cross Dimerization of Amyloid-β and αSynuclein Proteins in Aqueous Environment: A Molecular Dynamics Simulations Study

Jaya C. Jose, Prathit Chatterjee, Neelanjana Sengupta

published 11 Sep 2014

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A New Coarse-Grained Model for E. coli Cytoplasm: Accurate Calculation of the Diffusion Coefficient of Proteins and Observation of Anomalous Diffusion

Sabeeha Hasnain, Christopher L. McClendon, Monica T. Hsu, Matthew P. Jacobson, Pradipta Bandyopadhyay

published 02 Sep 2014

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Molecular Dynamic Simulation of the Self-Assembly of DAP12-NKG2C Activating Immunoreceptor Complex

Peng Wei, Lida Xu, Cheng-Dong Li, Fu-De Sun, Long Chen, Tianwei Tan, Shi-Zhong Luo

published 22 Aug 2014

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On Calculation of the Electrostatic Potential of a Phosphatidylinositol Phosphate-Containing Phosphatidylcholine Lipid Membrane Accounting for Membrane Dynamics

Jonathan C. Fuller, Michael Martinez, Rebecca C. Wade

published 20 Aug 2014

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Chemically Modified Peptide Scaffolds Target the CFTR-Associated Ligand PDZ Domain

Jeanine F. Amacher, Ruizhi Zhao, Mark R. Spaller, Dean R. Madden

published 19 Aug 2014

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Surface Physicochemistry and Ionic Strength Affects eDNA’s Role in Bacterial Adhesion to Abiotic Surfaces

Viduthalai R. Regina, Arcot R. Lokanathan, Jakub J. Modrzyński, Duncan S. Sutherland, Rikke L. Meyer

published 14 Aug 2014

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Charged Residues Distribution Modulates Selectivity of the Open State of Human Isoforms of the Voltage Dependent Anion-Selective Channel

Giuseppe Federico Amodeo, Mariano Andrea Scorciapino, Angela Messina, Vito De Pinto, Matteo Ceccarelli

published 01 Aug 2014

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Synthesis, Crystal Structure and Biological Activity of 2-Hydroxyethylammonium Salt of p-Aminobenzoic Acid

Manuela E. Crisan, Paulina Bourosh, Massimo E. Maffei, Alessandra Forni, Stefano Pieraccini, Maurizio Sironi, Yurii M. Chumakov

published 23 Jul 2014

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Graph Theoretical Representation of Atomic Asymmetry and Molecular Chirality of Benzenoids in Two-Dimensional Space

Tanfeng Zhao, Qingyou Zhang, Hailin Long, Lu Xu

published 17 Jul 2014

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Statistical Analysis of Crystallization Database Links Protein Physico-Chemical Features with Crystallization Mechanisms

Diana Fusco, Timothy J. Barnum, Andrew E. Bruno, Joseph R. Luft, Edward H. Snell, Sayan Mukherjee, Patrick Charbonneau

published 02 Jul 2014

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The Effect of Macromolecular Crowding on the Electrostatic Component of Barnase–Barstar Binding: A Computational, Implicit Solvent-Based Study

Helena W. Qi, Priyanka Nakka, Connie Chen, Mala L. Radhakrishnan

published 10 Jun 2014

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Protonated Form: The Potent Form of Potassium-Competitive Acid Blockers

Hua-Jun Luo, Wei-Qiao Deng, Kun Zou

published 20 May 2014

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