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Electrostatics

Parallel Screening of Wild-Type and Drug-Resistant Targets for Anti-Resistance Neuraminidase Inhibitors

Kai-Cheng Hsu, Hui-Chen Hung, Jim-Tong Horng, Ming-Yu Fang, Chun-Yu Chang, Ling-Ting Li, I-Jung Chen, Yun-Chu Chen, Ding-Li Chou, Chun-Wei Chang, Hsing-Pang Hsieh, Jinn-Moon Yang, John T.-A. Hsu

published 20 Feb 2013

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An Advanced Coarse-Grained Nucleosome Core Particle Model for Computer Simulations of Nucleosome-Nucleosome Interactions under Varying Ionic Conditions

Yanping Fan, Nikolay Korolev, Alexander P. Lyubartsev, Lars Nordenskiöld

published 13 Feb 2013

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Identification of PPARgamma Partial Agonists of Natural Origin (II): In Silico Prediction in Natural Extracts with Known Antidiabetic Activity

Laura Guasch, Esther Sala, Miquel Mulero, Cristina Valls, Maria Josepa Salvadó, Gerard Pujadas, Santiago Garcia-Vallvé

published 06 Feb 2013

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Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations

Sugunadevi Sakkiah, Mahreen Arooj, Manian Rajesh Kumar, Soo Hyun Eom, Keun Woo Lee

published 28 Jan 2013

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Effect of Temperature and Capsid Tail on the Packing and Ejection of Viral DNA

Afaf Al Lawati, Issam Ali, Muataz Al Barwani

published 08 Jan 2013

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Atomistic Study of Lipid Membranes Containing Chloroform: Looking for a Lipid-Mediated Mechanism of Anesthesia

Ramon Reigada

published 02 Jan 2013

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Without Salt, the ‘Thermophilic’ Protein Mth10b Is Just Mesophilic

Nan Zhang, Xian-Ming Pan, Meng Ge

published 27 Dec 2012

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Structural Analysis of Glutaredoxin Domain of Mus musculus Thioredoxin Glutathione Reductase

Olena Dobrovolska, Elena Shumilina, Vadim N. Gladyshev, Alexander Dikiy

published 26 Dec 2012

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Electrostatically Induced Recruitment of Membrane Peptides into Clusters Requires Ligand Binding at Both Interfaces

Yuri N. Antonenko, Andreas Horner, Peter Pohl

published 21 Dec 2012

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T-Cell Receptors Binding Orientation over Peptide/MHC Class I Is Driven by Long-Range Interactions

Mathias Ferber, Vincent Zoete, Olivier Michielin

published 14 Dec 2012

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Obstruction of Photoinduced Electron Transfer from Excited Porphyrin to Graphene Oxide: A Fluorescence Turn-On Sensing Platform for Iron (III) Ions

Zhong De Liu, Heng Xin Zhao, Cheng Zhi Huang

published 10 Dec 2012

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The Peripheral Binding of 14-3-3γ to Membranes Involves Isoform-Specific Histidine Residues

Helene J. Bustad, Lars Skjaerven, Ming Ying, Øyvind Halskau, Anne Baumann, David Rodriguez-Larrea, Miguel Costas, Jarl Underhaug, Jose M. Sanchez-Ruiz, Aurora Martinez

published 26 Nov 2012

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Insights into the Structure, Correlated Motions, and Electrostatic Properties of Two HIV-1 gp120 V3 Loops

Aliana López de Victoria, Phanourios Tamamis, Chris A. Kieslich, Dimitrios Morikis

published 19 Nov 2012

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