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Free energy calcula...
Free energy calculations of A(2A) adenosine receptor mutation effects on agonist binding
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- Keränen, Henrik (author)
- Uppsala universitet,Beräknings- och systembiologi
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- Åqvist, Johan (author)
- Uppsala universitet,Beräknings- och systembiologi
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- Gutierrez-de-Teran, Hugo (author)
- Uppsala universitet,Beräknings- och systembiologi
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(creator_code:org_t)
- 2015
- 2015
- English.
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In: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1359-7345 .- 1364-548X. ; 51:17, s. 3522-3525
- Related links:
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https://urn.kb.se/re...
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Abstract
Subject headings
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- A general computational scheme to evaluate the effects of single point mutations on ligand binding is reported. This scheme is applied to characterize agonist binding to the A(2A) adenosine receptor, and is found to accurately explain how point mutations of different nature affect the binding affinity of a potent agonist.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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