Recent developments in the computational study of protein structural and vibrational energy dynamics
| Autor: | David M. Leitner, Takahisa Yamato |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Physics
0303 health sciences Work (thermodynamics) Vibrational energy Protein dynamics Biophysics Review 010402 general chemistry 01 natural sciences 0104 chemical sciences 03 medical and health sciences Structural Biology Experimental work Statistical physics Molecular Biology Energy exchange 030304 developmental biology Energy transport |
| Zdroj: | Biophys Rev |
| Popis: | Recent developments in the computational study of energy transport in proteins are reviewed, including advances in both methodology and applications. The concept of energy exchange network (EEN) is discussed, and a recent calculation of EENs for the allosteric protein FixL is reviewed, which illustrates how residues and protein regions involved in the allosteric transition can be identified. Recent work has examined relations between EENs and protein dynamics as well as structure. We review some of the computational studies carried out on several proteins that explore connections between energy conductivity across polar contacts in proteins and between proteins and water and equilibrium dynamics of the contacts, and we discuss some of the recent experimental work that addresses this topic. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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