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Biochemical simulations

Discovery of Intramolecular Signal Transduction Network Based on a New Protein Dynamics Model of Energy Dissipation

Cheng-Wei Ma, Zhi-Long Xiu, An-Ping Zeng

An Easy-To-Use Simulation Program Demonstrates Variations in Bacterial Cell Cycle Parameters Depending on Medium and Temperature

Caroline Stokke, Ingvild Flåtten, Kirsten Skarstad

Protein Localization with Flexible DNA or RNA

Sebastian Bernhardsson, Namiko Mitarai, Kim Sneppen

Cupricyclins, Novel Redox-Active Metallopeptides Based on Conotoxins Scaffold

Marco Barba, Anatoli P. Sobolev, [ ... ], Fabio Polticelli

Ashwagandha Derived Withanone Targets TPX2-Aurora A Complex: Computational and Experimental Evidence to its Anticancer Activity

Abhinav Grover, Rumani Singh, [ ... ], Durai Sundar

Structural Analysis and Stochastic Modelling Suggest a Mechanism for Calmodulin Trapping by CaMKII

Melanie I. Stefan, David P. Marshall, Nicolas Le Novère

The Conformational Transition Pathways of ATP-Binding Cassette Transporter BtuCD Revealed by Targeted Molecular Dynamics Simulation

Jingwei Weng, Kangnian Fan, Wenning Wang

Accounting For Alignment Uncertainty in Phylogenomics

Martin Wu, Sourav Chatterji, Jonathan A. Eisen

Molecular Dynamics Studies of the Nucleoprotein of Influenza A Virus: Role of the Protein Flexibility in RNA Binding

Bogdan Tarus, Christophe Chevalier, [ ... ], Anny Slama-Schwok

Modeling of miRNA and Drug Action in the EGFR Signaling Pathway

Jian Li, Vikash Pandey, [ ... ], Christoph Wierling

Combining Optimal Control Theory and Molecular Dynamics for Protein Folding

Yaman Arkun, Mert Gur

Quantifying the Dynamics of Coupled Networks of Switches and Oscillators

Matthew R. Francis, Elana J. Fertig

A-Site Residues Move Independently from P-Site Residues in all-Atom Molecular Dynamics Simulations of the 70S Bacterial Ribosome

Relly Brandman, Yigal Brandman, Vijay S. Pande

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