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Biochemical simulations

Structure-Function Relationship of Cytoplasmic and Nuclear IκB Proteins: An In Silico Analysis

Balachandran Manavalan, Shaherin Basith, [ ... ], Sangdun Choi

Cholera Toxin B Subunits Assemble into Pentamers - Proposition of a Fly-Casting Mechanism

Jihad Zrimi, Alicia Ng Ling, [ ... ], Claire Lesieur

Minimal Gene Regulatory Circuits for a Lysis-Lysogeny Choice in the Presence of Noise

Mikkel Avlund, Sandeep Krishna, [ ... ], Kim Sneppen

Molecular Dynamics Simulation Studies of GLUT4: Substrate-Free and Substrate-Induced Dynamics and ATP-Mediated Glucose Transport Inhibition

Suma Mohan, Aswathy Sheena, Ninu Poulose, Gopalakrishnapillai Anilkumar

Emergent Properties of Tumor Microenvironment in a Real-Life Model of Multicell Tumor Spheroids

Edoardo Milotti, Roberto Chignola

Bridging the Gap: Linking Molecular Simulations and Systemic Descriptions of Cellular Compartments

Tihamér Geyer, Xavier Mol, Sarah Blaß, Volkhard Helms

Phosphoproteomics-Based Modeling Defines the Regulatory Mechanism Underlying Aberrant EGFR Signaling

Shinya Tasaki, Masao Nagasaki, [ ... ], Masaaki Oyama

Nonnative Interactions in Coupled Folding and Binding Processes of Intrinsically Disordered Proteins

Yongqi Huang, Zhirong Liu

A Geometrical Model for DNA Organization in Bacteria

Mathias Buenemann, Peter Lenz

Multiple Routes and Milestones in the Folding of HIV–1 Protease Monomer

Massimiliano Bonomi, Alessandro Barducci, Francesco L. Gervasio, Michele Parrinello

Modelling the Role of UCH-L1 on Protein Aggregation in Age-Related Neurodegeneration

Carole J. Proctor, Paul J. Tangeman, Helen C. Ardley

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

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