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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, [ ... ], John T.-A. Hsu

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

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

Laura Guasch, Esther Sala, [ ... ], Santiago Garcia-Vallvé

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

Sugunadevi Sakkiah, Mahreen Arooj, [ ... ], Keun Woo Lee

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

Afaf Al Lawati, Issam Ali, Muataz Al Barwani

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

Ramon Reigada

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

Nan Zhang, Xian-Ming Pan, Meng Ge

Structural Analysis of Glutaredoxin Domain of Mus musculus Thioredoxin Glutathione Reductase

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

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

Yuri N. Antonenko, Andreas Horner, Peter Pohl

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

Mathias Ferber, Vincent Zoete, Olivier Michielin

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

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

Helene J. Bustad, Lars Skjaerven, [ ... ], Aurora Martinez

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

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