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Molecular dynamics

Critical Structural and Functional Roles for the N-Terminal Insertion Sequence in Surfactant Protein B Analogs

Frans J. Walther, Alan J. Waring, [ ... ], Robert H. Notter

Steered Molecular Dynamics Simulations Reveal the Likelier Dissociation Pathway of Imatinib from Its Targeting Kinases c-Kit and Abl

Li-Jun Yang, Jun Zou, [ ... ], Sheng-Yong Yang

Electroporating Fields Target Oxidatively Damaged Areas in the Cell Membrane

P. Thomas Vernier, Zachary A. Levine, [ ... ], D. Peter Tieleman

Human Sirt-1: Molecular Modeling and Structure-Function Relationships of an Unordered Protein

Ida Autiero, Susan Costantini, Giovanni Colonna

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

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

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