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Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics
Investigation of macromolecular structure and dynamics is fundamental to understanding how macromolecules carry out their functions in the cell. Significant advances have been made toward this end in silico, with a growing number of computational methods proposed yearly to study and simulate various aspects of macromolecular structure and dynamics. This review aims to provide an overview of recent advances, focusing primarily on methods proposed for exploring the structure space of macromolecules in isolation and in assemblies for the purpose of characterizing equilibrium structure and dynamics. Shehu et al.
Image Credit: Lei Chen and Yan Liang (L2Molecule.com, Bruce Donald Laboratory [See Reference 452])
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PLOS Computational Biology: published April 7, 2016 | https://doi.org/10.1371/journal.pcbi.1004853
Review
Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics
PLOS Computational Biology: published April 28, 2016 | https://doi.org/10.1371/journal.pcbi.1004619
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The Interaction between Vector Life History and Short Vector Life in Vector-Borne Disease Transmission and Control
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Quorum-Sensing Synchronization of Synthetic Toggle Switches: A Design Based on Monotone Dynamical Systems Theory
PLOS Computational Biology: published April 29, 2016 | https://doi.org/10.1371/journal.pcbi.1004881
A Drug-Centric View of Drug Development: How Drugs Spread from Disease to Disease
PLOS Computational Biology: published April 28, 2016 | https://doi.org/10.1371/journal.pcbi.1004852
A Network Biology Approach Identifies Molecular Cross-Talk between Normal Prostate Epithelial and Prostate Carcinoma Cells
PLOS Computational Biology: published April 28, 2016 | https://doi.org/10.1371/journal.pcbi.1004884
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