Journal
STRUCTURE
Volume 27, Issue 4, Pages 566-578Publisher
CELL PRESS
DOI: 10.1016/j.str.2019.01.003
Keywords
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Funding
- Centre Europeen pour le Calcul Atomic et Moleculaire (CECAM)
- Swiss Industry Science Foundation
- European Union [720270]
- NIH [R01GM114015, R01GM064803, R01GM123247, P41GM103712, P30DA035778, NIG GM31749]
- Federal funds from the National Cancer Institute, NIH [HHSN261200800001E]
- Intramural Research Program of the NIH, National Cancer Institute, Center for Cancer Research
- ISF [494/16]
- ISF-NSFC [2463/16]
- NSRF
- European Regional Development Fund [09SigmaUN 11-675]
- Marie Curie Reintegration Grant (FP7-PEOPLE-2009-RG) [256533]
- AACR Judah Folkman Fellowship for Cancer Research in Angiogenesis [08-40-18-COUR]
- Link-SCEEM-2 project - European Commission [INFRA-2010-1.2.3]
- Combination of Collaborative Project and Coordination and Support Actions (CP-CSA) [RI-261600]
- Polish National Science Centre [2016/21/D/NZ1/02806]
- BIOMS program at the Interdisciplinary Center for Scientific Computing IWR, University of Heidelberg
- Klaus Tschira Foundation
- EPSRC [EP/N031431/2] Funding Source: UKRI
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Allosteric regulation plays an important role in many biological processes, such as signal transduction, transcriptional regulation, andmetabolism. Allostery is rooted in the fundamental physical properties of macromolecular systems, but its underlying mechanisms are still poorly understood. A collection of contributions to a recent interdisciplinary CECAM(Center Europeen de Calcul Atomique et Moleculaire) workshop is used here to provide an overview of the progress and remaining limitations in the understanding of the mechanistic foundations of allostery gained from computational and experimental analyses of real protein systems and model systems. The main conceptual frameworks instrumental in driving the field are discussed. We illustrate the role of these frameworks in illuminating molecular mechanisms and explaining cellular processes, and describe some of their promising practical applications in engineering molecular sensors and informing drug design efforts.
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