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eBDIMS server :
eBDIMS server : protein transition pathways with ensemble analysis in 2D-motion spaces
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- Orellana, Laura (författare)
- Stockholms universitet,Institutionen för biokemi och biofysik,Science for Life Laboratory (SciLifeLab),Stockholm Univ, Dept Biochem & Biophys, Sci Life Lab, S-10691 Stockholm, Sweden.
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- Gustavsson, Johan (författare)
- KTH,Beräkningsvetenskap och beräkningsteknik (CST)
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- Bergh, Cathrine (författare)
- KTH,Biofysik,SeRC - Swedish e-Science Research Centre
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- Yoluk, Ozge (författare)
- KTH,SeRC - Swedish e-Science Research Centre,Biofysik,Univ Maryland, Sch Pharm, Dept Pharmaceut Sci, Baltimore, MD 21201 USA.
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- Lindahl, Erik, 1972- (författare)
- Stockholms universitet,KTH,SeRC - Swedish e-Science Research Centre,Biofysik,Stockholm Univ, Dept Biochem & Biophys, Sci Life Lab, S-10691 Stockholm, Sweden.,Institutionen för biokemi och biofysik,Science for Life Laboratory (SciLifeLab),KTH Royal Institute of Technology, Sweden
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(creator_code:org_t)
- 2019-02-19
- 2019
- Engelska.
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Ingår i: Bioinformatics. - : OXFORD UNIV PRESS. - 1367-4803 .- 1367-4811. ; 35:18, s. 3505-3507
- Relaterad länk:
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https://academic.oup...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- A Summary: Understanding how proteins transition between different conformers, and how conformers relate to each other in terms of structure and function, is not trivial. Here, we present an online tool for transition pathway generation between two protein conformations using Elastic Network Driven Brownian Dynamics Importance Sampling, a coarse-grained simulation algorithm, which spontaneously predicts transition intermediates trapped experimentally. In addition to path-generation, the server provides an interactive 2D-motion landscape graphical representation of the transitions or any additional conformers to explore their structural relationships.
Ämnesord
- NATURVETENSKAP -- Data- och informationsvetenskap -- Bioinformatik (hsv//swe)
- NATURAL SCIENCES -- Computer and Information Sciences -- Bioinformatics (hsv//eng)
- NATURVETENSKAP -- Biologi (hsv//swe)
- NATURAL SCIENCES -- Biological Sciences (hsv//eng)
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