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Biochemical simulations

A Mathematical Model for the Detection Mechanism of DNA Double-Strand Breaks Depending on Autophosphorylation of ATM

Kazunari Mouri, Jose C. Nacher, Tatsuya Akutsu

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

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

Investigating Differential Dynamics of the MAPK Signaling Cascade Using a Multi-Parametric Global Sensitivity Analysis

Jeongah Yoon, Thomas S. Deisboeck

A Role for the Juxtamembrane Cytoplasm in the Molecular Dynamics of Focal Adhesions

Haguy Wolfenson, Ariel Lubelski, [ ... ], Benjamin Geiger

Methionine Sulfoxides on Prion Protein Helix-3 Switch on the α-Fold Destabilization Required for Conversion

Giorgio Colombo, Massimiliano Meli, [ ... ], María Gasset

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

High Protein Binding and Cidal Activity against Penicillin-Resistant S. pneumoniae: A Cefditoren In Vitro Pharmacodynamic Simulation

David Sevillano, Lorenzo Aguilar, [ ... ], José Prieto

Finite Size Effects in Simulations of Protein Aggregation

Amol Pawar, Giorgio Favrin

A Fully Atomistic Model of the Cx32 Connexon

Sergio Pantano, Francesco Zonta, Fabio Mammano

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

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

Fibronectin Unfolding Revisited: Modeling Cell Traction-Mediated Unfolding of the Tenth Type-III Repeat

Elaine P. S. Gee, Donald E. Ingber, Collin M. Stultz

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