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Crystal structure

Simple Elastic Network Models for Exhaustive Analysis of Long Double-Stranded DNA Dynamics with Sequence Geometry Dependence

Shuhei Isami, Naoaki Sakamoto, Hiraku Nishimori, Akinori Awazu

Modelling of Thyroid Peroxidase Reveals Insights into Its Enzyme Function and Autoantigenicity

Sarah N. Le, Benjamin T. Porebski, [ ... ], Ashley M. Buckle

Dancing through Life: Molecular Dynamics Simulations and Network-Centric Modeling of Allosteric Mechanisms in Hsp70 and Hsp110 Chaperone Proteins

Gabrielle Stetz, Gennady M. Verkhivker

Mapping Soluble Guanylyl Cyclase and Protein Disulfide Isomerase Regions of Interaction

Erin J. Heckler, Vladyslav Kholodovych, [ ... ], Annie Beuve

Substrate-Induced Dimerization of Engineered Monomeric Variants of Triosephosphate Isomerase from Trichomonas vaginalis

Samuel Lara-Gonzalez, Priscilla Estrella, [ ... ], Luis G. Brieba

Organometallic Half-Sandwich Dichloridoruthenium(II) Complexes with 7-Azaindoles: Synthesis, Characterization and Elucidation of Their Anticancer Inactivity against A2780 Cell Line

Pavel Štarha, Lucie Hanousková, Zdeněk Trávníček

Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA

Karel Mena-Ulecia, William Tiznado, Julio Caballero

Coevolution Analysis of HIV-1 Envelope Glycoprotein Complex

Reda Rawi, Khalid Kunji, Abdelali Haoudi, Halima Bensmail

NMR Structure and Dynamics of the Resuscitation Promoting Factor RpfC Catalytic Domain

Vincenzo Maione, Alessia Ruggiero, [ ... ], Carla Isernia

Plasma Membrane Abundance of Human Aquaporin 5 Is Dynamically Regulated by Multiple Pathways

Philip Kitchen, Fredrik Öberg, [ ... ], Susanna Törnroth-Horsefield

Interaction of the N-(3-Methylpyridin-2-yl)amide Derivatives of Flurbiprofen and Ibuprofen with FAAH: Enantiomeric Selectivity and Binding Mode

Jessica Karlsson, Carmine M. Morgillo, [ ... ], Christopher J. Fowler

Synergic Effect between Adsorption and Photocatalysis of Metal-Free g-C₃N₄ Derived from Different Precursors

Huan-Yan Xu, Li-Cheng Wu, [ ... ], Shu-Yan Qi

Biochemical Analysis of CagE: A VirB4 Homologue of Helicobacter pylori Cag-T4SS

Mohd Shariq, Navin Kumar, [ ... ], Gauranga Mukhopadhyay

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