Large-Scale Conformational Changes of Trypanosoma cruzi Proline Racemase Predicted by Accelerated Molecular Dynamics Simulation

Chagas Disease: Progress and New Perspectives

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Coupling Constant pH Molecular Dynamics with Accelerated Molecular Dynamics

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Fragment-based identification of druggable ‘hot spots’ of proteins using Fourier domain correlation techniques

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Catalyzing Racemizations in the Absence of a Cofactor: The Reaction Mechanism in Proline Racemase

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Proline racemases: insights into Trypanosoma cruzi peptides containing D-proline

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Ras Conformational Switching: Simulating Nucleotide-Dependent Conformational Transitions with Accelerated Molecular Dynamics

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Coupling Accelerated Molecular Dynamics Methods with Thermodynamic Integration Simulations

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