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Biophysical simulations

Automatic Identification of Mobile and Rigid Substructures in Molecular Dynamics Simulations and Fractional Structural Fluctuation Analysis

Leandro Martínez

Comparing Molecular Dynamics Force Fields in the Essential Subspace

Fernando Martín-García, Elena Papaleo, [ ... ], Kresten Lindorff-Larsen

Experimental Study of the Irrational Phase Synchronization of Coupled Nonidentical Mechanical Metronomes

Zhiwen Song, Ye Wu, Weiqing Liu, Jinghua Xiao

On the Modularity of the Intrinsic Flexibility of the µ Opioid Receptor: A Computational Study

Mathieu Fossépré, Laurence Leherte, Aatto Laaksonen, Daniel P. Vercauteren

Prediction of the Time Course of Callus Stiffness as a Function of Mechanical Parameters in Experimental Rat Fracture Healing Studies - A Numerical Study

Tim Wehner, Malte Steiner, Anita Ignatius, Lutz Claes

Calculation and Visualization of Atomistic Mechanical Stresses in Nanomaterials and Biomolecules

Andrew T. Fenley, Hari S. Muddana, Michael K. Gilson

Dynamic Scenario of Membrane Binding Process of Kalata B1

Wanapinun Nawae, Supa Hannongbua, Marasri Ruengjitchatchawalya

Computational Modeling Reveals Key Contributions of KCNQ and hERG Currents to the Malleability of Uterine Action Potentials Underpinning Labor

Wing-Chiu Tong, Rachel M. Tribe, Roger Smith, Michael J. Taggart

Computational and Functional Characterization of Angiogenin Mutations, and Correlation with Amyotrophic Lateral Sclerosis

Aditya K. Padhi, Kamalika Banerjee, James Gomes, Manidipa Banerjee

Diagnostics for Stochastic Genome-Scale Modeling via Model Slicing and Debugging

Kevin J. Tsai, Chuan-Hsiung Chang

In Silico, Experimental, Mechanistic Model for Extended-Release Felodipine Disposition Exhibiting Complex Absorption and a Highly Variable Food Interaction

Sean H. J. Kim, Andre J. Jackson, C. Anthony Hunt

The Mechanisms of Plant Cell Wall Deconstruction during Enzymatic Hydrolysis

Lisbeth G. Thygesen, Emil E. Thybring, Katja S. Johansen, Claus Felby

Simulating Metabolism with Statistical Thermodynamics

William R. Cannon

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