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Biochemical simulations

An Improved Strategy for Generating Forces in Steered Molecular Dynamics: The Mechanical Unfolding of Titin, e2lip3 and Ubiquitin

Bosco K. Ho, David A. Agard

Triglyceride Blisters in Lipid Bilayers: Implications for Lipid Droplet Biogenesis and the Mobile Lipid Signal in Cancer Cell Membranes

Himanshu Khandelia, Lars Duelund, Kirsi I. Pakkanen, John H. Ipsen

Molecular Modeling Study for Interaction between Bacillus subtilis Obg and Nucleotides

Yuno Lee, Woo Young Bang, [ ... ], Keun Woo Lee

Plasticity of Intermediate Filament Subunits

Robert Kirmse, Zhao Qin, [ ... ], Laurent Kreplak

A Didactic Model of Macromolecular Crowding Effects on Protein Folding

Douglas Tsao, Allen P. Minton, Nikolay V. Dokholyan

The Role of Type 4 Phosphodiesterases in Generating Microdomains of cAMP: Large Scale Stochastic Simulations

Rodrigo F. Oliveira, Anna Terrin, [ ... ], Kim T. Blackwell

Rationalisation of the Differences between APOBEC3G Structures from Crystallography and NMR Studies by Molecular Dynamics Simulations

Flavia Autore, Julien R. C. Bergeron, [ ... ], Hendrik Huthoff

Cholesterol Induces Specific Spatial and Orientational Order in Cholesterol/Phospholipid Membranes

Hector Martinez-Seara, Tomasz Róg, [ ... ], Ramon Reigada

The Proapoptotic Influenza A Virus Protein PB1-F2 Forms a Nonselective Ion Channel

Michael Henkel, David Mitzner, [ ... ], Gerhard Thiel

Modelling the Response of FOXO Transcription Factors to Multiple Post-Translational Modifications Made by Ageing-Related Signalling Pathways

Graham R. Smith, Daryl P. Shanley

Modeling the Time Evolution of the Nanoparticle-Protein Corona in a Body Fluid

Daniele Dell'Orco, Martin Lundqvist, [ ... ], Sara Linse

Structural and Dynamical Effects Induced by the Anticancer Drug Topotecan on the Human Topoisomerase I – DNA Complex

Giordano Mancini, Ilda D'Annessa, [ ... ], Alessandro Desideri

Optimal Identification of Semi-Rigid Domains in Macromolecules from Molecular Dynamics Simulation

Stefan Bernhard, Frank Noé

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