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Biophysical simulations

Are Quasi-Steady-State Approximated Models Suitable for Quantifying Intrinsic Noise Accurately?

Dola Sengupta, Sandip Kar

published 01 Sep 2015

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In Silico Adoption of an Orphan Nuclear Receptor NR4A1

Harald Lanig, Felix Reisen, David Whitley, Gisbert Schneider, Lee Banting, Timothy Clark

published 13 Aug 2015

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The Mechanism by which 146-N-Glycan Affects the Active Site of Neuraminidase

Pi Liu, Zhonghua Wang, Lijie Zhang, Dongmei Li, Jianping Lin

published 12 Aug 2015

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Weak Interactions between Salmonella enterica FlhB and Other Flagellar Export Apparatus Proteins Govern Type III Secretion Dynamics

Jonathan L. McMurry, Tohru Minamino, Yukio Furukawa, Joshua W. Francis, Stephanie A. Hill, Katy A. Helms, Keiichi Namba

published 05 Aug 2015

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Structure and Function in Homodimeric Enzymes: Simulations of Cooperative and Independent Functional Motions

Stephen A. Wells, Marc W. van der Kamp, John D. McGeagh, Adrian J. Mulholland

published 04 Aug 2015

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

Hyun Deok Song, Fangqiang Zhu

published 17 Jul 2015

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Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations

Federico Fogolari, Alessandra Corazza, Sara Fortuna, Miguel Angel Soler, Bryan VanSchouwen, Giorgia Brancolini, Stefano Corni, Giuseppe Melacini, Gennaro Esposito

published 15 Jul 2015

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Experimental and Theoretical Investigation of Crystallographic Orientation Dependence of Nanoscratching of Single Crystalline Copper

Yanquan Geng, Junjie Zhang, Yongda Yan, Bowen Yu, Lin Geng, Tao Sun

published 06 Jul 2015

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An Atlas of Network Topologies Reveals Design Principles for Caenorhabditis elegans Vulval Precursor Cell Fate Patterning

Xianfeng Ping, Chao Tang

published 26 Jun 2015

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Topological Data Analysis of Biological Aggregation Models

Chad M. Topaz, Lori Ziegelmeier, Tom Halverson

published 13 May 2015

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Systematically Constructing Kinetic Transition Network in Polypeptide from Top to Down: Trajectory Mapping

Linchen Gong, Xin Zhou, Zhongcan Ouyang

published 11 May 2015

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Molecular Dynamics Simulations of the Human Glucose Transporter GLUT1

Min-Sun Park

published 28 Apr 2015

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The Dynamic Conformational Cycle of the Group I Chaperonin C-Termini Revealed via Molecular Dynamics Simulation

Kevin M. Dalton, Judith Frydman, Vijay S. Pande

published 30 Mar 2015

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