Strawn, Rebecca, Stockner, Thomas, Melichercik, Milan, Jin, Lihua, Xue, Wei-Feng, Carey, Jannette, Ettrich, Rüdiger (2011) Synergy of molecular dynamics and isothermal titration calorimetry in studies of allostery. Methods in Enzymology, 492 . pp. 151-88. ISSN 0076-6879. (doi:10.1016/B978-0-12-381268-1.00017-3) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:34230)
| The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. | |
| Official URL: http://dx.doi.org/10.1016/B978-0-12-381268-1.00017... |
|
Abstract
Despite decades of intensive study, allosteric effects have eluded an intellectually satisfying integrated understanding that includes a description of the reaction coordinate in terms of species distributions of structures and free energy levels in the conformational ensemble. This chapter illustrates a way to fill this gap by interpreting thermodynamic and structural results through the lens of molecular dynamics simulation analysis to link atomic-level detail with global response. In this synergistic approach molecular dynamics forms an integral part of a feedback loop of hypothesis, experimental design, and interpretation that conforms to the scientific method.
| Item Type: | Article |
|---|---|
| DOI/Identification number: | 10.1016/B978-0-12-381268-1.00017-3 |
| Subjects: |
Q Science Q Science > QC Physics Q Science > QD Chemistry Q Science > QP Physiology (Living systems) > QP517 Biochemistry |
| Institutional Unit: | Schools > School of Natural Sciences > Biosciences |
| Former Institutional Unit: |
Divisions > Division of Natural Sciences > Biosciences
|
| Depositing User: | Wei-Feng Xue |
| Date Deposited: | 11 Jun 2013 11:30 UTC |
| Last Modified: | 20 May 2025 09:17 UTC |
| Resource URI: | https://kar.kent.ac.uk/id/eprint/34230 (The current URI for this page, for reference purposes) |
University of Kent Author Information
Xue, Wei-Feng.
| Creator's ORCID: |
 https://orcid.org/0000-0002-6504-0404
|
|---|---|
| CReDIT Contributor Roles: |
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