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Biophysical simulations

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

Leandro Martínez

published 27 Mar 2015

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Comparing Molecular Dynamics Force Fields in the Essential Subspace

Fernando Martín-García, Elena Papaleo, Paulino Gomez-Puertas, Wouter Boomsma, Kresten Lindorff-Larsen

published 26 Mar 2015

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

Zhiwen Song, Ye Wu, Weiqing Liu, Jinghua Xiao

published 18 Mar 2015

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

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

published 30 Dec 2014

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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

published 22 Dec 2014

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Calculation and Visualization of Atomistic Mechanical Stresses in Nanomaterials and Biomolecules

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

published 11 Dec 2014

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Dynamic Scenario of Membrane Binding Process of Kalata B1

Wanapinun Nawae, Supa Hannongbua, Marasri Ruengjitchatchawalya

published 04 Dec 2014

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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

published 04 Dec 2014

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

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

published 05 Nov 2014

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

Kevin J. Tsai, Chuan-Hsiung Chang

published 04 Nov 2014

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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

published 30 Sep 2014

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The Mechanisms of Plant Cell Wall Deconstruction during Enzymatic Hydrolysis

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

published 18 Sep 2014

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Simulating Metabolism with Statistical Thermodynamics

William R. Cannon

published 04 Aug 2014

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