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Biochemical simulations

Conformational Changes in Two Inter-Helical Loops of Mhp1 Membrane Transporter

Hyun Deok Song, Fangqiang Zhu

Novel Phosphotidylinositol 4,5-Bisphosphate Binding Sites on Focal Adhesion Kinase

Jun Feng, Blake Mertz

Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations

Federico Fogolari, Alessandra Corazza, [ ... ], Gennaro Esposito

Accelerated Sensitivity Analysis in High-Dimensional Stochastic Reaction Networks

Georgios Arampatzis, Markos A. Katsoulakis, Yannis Pantazis

Structural Insights Reveal the Dynamics of the Repeating r(CAG) Transcript Found in Huntington’s Disease (HD) and Spinocerebellar Ataxias (SCAs)

Arpita Tawani, Amit Kumar

Motion Tree Delineates Hierarchical Structure of Protein Dynamics Observed in Molecular Dynamics Simulation

Kei Moritsugu, Ryotaro Koike, [ ... ], Akinori Kidera

The Cold Shock Domain of YB-1 Segregates RNA from DNA by Non-Bonded Interactions

Vladislav Kljashtorny, Stanislav Nikonov, [ ... ], Philippe Manivet

A Computational Framework for Bioimaging Simulation

Masaki Watabe, Satya N. V. Arjunan, [ ... ], Koichi Takahashi

The Calcium Goes Meow: Effects of Ions and Glycosylation on Fel d 1, the Major Cat Allergen

Rodrigo Ligabue-Braun, Liana Guimarães Sachett, Laércio Pol-Fachin, Hugo Verli

Two Adhesive Sites Can Enhance the Knotting Probability of DNA

Saeed Najafi, Raffaello Potestio

Molecular Dynamics of Channelrhodopsin at the Early Stages of Channel Opening

Mizuki Takemoto, Hideaki E. Kato, [ ... ], Osamu Nureki

Computational Modelling of NF-κB Activation by IL-1RI and Its Co-Receptor TILRR, Predicts a Role for Cytoskeletal Sequestration of IκBα in Inflammatory Signalling

David M. Rhodes, Sarah A. Smith, Mike Holcombe, Eva E. Qwarnstrom

Cluster Detection Tests in Spatial Epidemiology: A Global Indicator for Performance Assessment

Aline Guttmann, Xinran Li, [ ... ], Lemlih Ouchchane

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