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Computational chemistry

Molecular Dynamics Simulation of Phosphorylated KID Post-Translational Modification

Hai-Feng Chen

Hsp70 Chaperones and Type I PRMTs Are Sequestered at Intranuclear Inclusions Caused by Polyalanine Expansions in PABPN1

João Paulo Tavanez, Rocio Bengoechea, [ ... ], Francisco J. Enguita

Lys169 of Human Glucokinase Is a Determinant for Glucose Phosphorylation: Implication for the Atomic Mechanism of Glucokinase Catalysis

Jian Zhang, Chenjing Li, [ ... ], Hualiang Jiang

Molecular Dynamics Simulation of Ligand Dissociation from Liver Fatty Acid Binding Protein

Dong Long, Yuguang Mu, Daiwen Yang

The Spliceosomal Phosphopeptide P140 Controls the Lupus Disease by Interacting with the HSC70 Protein and via a Mechanism Mediated by γδ T Cells

Nicolas Page, Nicolas Schall, [ ... ], Sylviane Muller

Determining the Orientation of Protegrin-1 in DLPC Bilayers Using an Implicit Solvent-Membrane Model

Abdallah Sayyed-Ahmad, Yiannis N. Kaznessis

Regulation of Bestrophins by Ca²⁺: A Theoretical and Experimental Study

Agata Kranjc, Federico W. Grillo, [ ... ], Claudio Anselmi

A Ligand Channel through the G Protein Coupled Receptor Opsin

Peter W. Hildebrand, Patrick Scheerer, [ ... ], Martin Heck

Similarity Measures for Protein Ensembles

Kresten Lindorff-Larsen, Jesper Ferkinghoff-Borg

Inhibition of α-Synuclein Fibrillization by Dopamine Is Mediated by Interactions with Five C-Terminal Residues and with E83 in the NAC Region

Fernando E. Herrera, Alessandra Chesi, [ ... ], Paolo Carloni

Mechanisms of Hybrid Oligomer Formation in the Pathogenesis of Combined Alzheimer's and Parkinson's Diseases

Igor F. Tsigelny, Leslie Crews, [ ... ], Eliezer Masliah

Model for the Peptide-Free Conformation of Class II MHC Proteins

Corrie A. Painter, Anthony Cruz, [ ... ], Zarixia Zavala-Ruiz

Anchor Side Chains of Short Peptide Fragments Trigger Ligand-Exchange of Class II MHC Molecules

Shashank Gupta, Sabine Höpner, [ ... ], Olaf Rötzschke

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