Journal
CURRENT OPINION IN PHARMACOLOGY
Volume 10, Issue 6, Pages 709-714Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.coph.2010.09.012
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Funding
- NSF [PHY 0822283, MCB 0543906]
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Protein folding and function are inherently linked sharing a joined funneled energy landscape In this theoretical framework, the integration of simulations, structural information, and sequence data has led to quantitatively explore, understand and predict biomolecular binding and recognition key processes in pharmacology, as a natural extension of the selective self-binding found in protein folding Computer simulations based on these principles have made valuable contributions to understanding protein and RNA folding protein-protein interactions, and protein-metabolite/RNA-metabolite interactions
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