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Biochemical simulations

Predicting the Tolerated Sequences for Proteins and Protein Interfaces Using RosettaBackrub Flexible Backbone Design

Colin A. Smith, Tanja Kortemme

Molecular Dynamics Simulations of the Human Glucose Transporter GLUT1

Min-Sun Park

Computational Analysis of KRAS Mutations: Implications for Different Effects on the KRAS p.G12D and p.G13D Mutations

Chih-Chieh Chen, Tze-Kiong Er, [ ... ], Marta Herreros-Villanueva

Accounting For Alignment Uncertainty in Phylogenomics

Martin Wu, Sourav Chatterji, Jonathan A. Eisen

Real-Time PyMOL Visualization for Rosetta and PyRosetta

Evan H. Baugh, Sergey Lyskov, Brian D. Weitzner, Jeffrey J. Gray

Hierarchical Structure Controls Nanomechanical Properties of Vimentin Intermediate Filaments

Zhao Qin, Laurent Kreplak, Markus J. Buehler

Benchmarking RNA-seq differential expression analysis methods using spike-in and simulation data

Bukyung Baik, Sora Yoon, Dougu Nam

Calcium Input Frequency, Duration and Amplitude Differentially Modulate the Relative Activation of Calcineurin and CaMKII

Lu Li, Melanie I. Stefan, Nicolas Le Novère

Molecular docking and dynamics simulation study of bioactive compounds from Ficus carica L. with important anticancer drug targets

Arun Bahadur Gurung, Mohammad Ajmal Ali, [ ... ], Khalid Mashay Al-Anazi

The bending rigidity of the red blood cell cytoplasmic membrane

Sebastian Himbert, Angelo D’Alessandro, [ ... ], Maikel C. Rheinstädter

Generalized Fragment Picking in Rosetta: Design, Protocols and Applications

Dominik Gront, Daniel W. Kulp, [ ... ], David Baker

Molecular Dynamics Simulation Reveals Insights into the Mechanism of Unfolding by the A130T/V Mutations within the MID1 Zinc-Binding Bbox1 Domain

Yunjie Zhao, Chen Zeng, Michael A. Massiah

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

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