Research Topic

Protein Dynamics and Evolvability: Insights from Biophysical and Computational Methods

About this Research Topic

Protein dynamics underlie nearly all biochemical processes occurring within cells: enzymatic activities, motor work, signal transduction, metabolic and transcriptional regulation. Defects in protein dynamics lead to cellular malfunction, disease, and cell death. Protein dynamics dictate i. the structure-function relationship and are induced by “external” perturbations (e.g. ligand binding, chemical modifications, oligomerization) but can also be intrinsic. ii. protein evolvability by enabling promiscuity, for adaptation in a continuously fluctuating chemical environment. Decoding protein dynamics empowers protein and drug design.

This Research Topic aims to collect articles that critically present and analyze tools to monitor protein dynamics and methodologies that unravel the allosteric pathways responsible to generate and regulate them.

Determining protein dynamics is challenging, as it is required to follow (complex) biological systems at length- and time- scales that vary several orders of magnitude. However, progresses in the physical sciences allows us to probe them directly. Moreover, the advances in DNA sequencing techniques and structure determination approaches increased the availability of sequence/structure databases derived from genomes/proteomes of thousands of organisms. The application of powerful statistical tools allows one to examine and extract complex information from the variations in the genetic code. The capabilities for DNA synthesis enable us to test experimentally their effect on dynamics and understand how such modulate function. However, the array of biophysical and computational tools employed produce large and extremely heterogeneous data sets. Evidently, integrative approaches are required to combine them.

This collection welcomes Reviews, Mini Reviews, Perspectives in which authors provide their own view/analysis on the established approaches to probe protein dynamics and decode their regulation. Moreover, it desires to embrace Original Research regarding state-of-the-art tools and novel approaches on the topic. Areas of interest include, but are not limited to, the following:
• Experimental and computational tools to monitor and examine protein dynamics
• Integrative approaches to merge the outcome of the different approaches
• Protein dynamic in drug design
• Protein dynamics in protein design
• Models to describe protein dynamics and comparisons

Dr. Vitor Pinheiro holds shares in Kern Systems and has patents relating to the subject of the Research Topic. All other editors declare no conflicts of interest.


Keywords: Protein Dynamics, Evolution, Biophysics, Computational Approaches, Design, Experiments


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

Protein dynamics underlie nearly all biochemical processes occurring within cells: enzymatic activities, motor work, signal transduction, metabolic and transcriptional regulation. Defects in protein dynamics lead to cellular malfunction, disease, and cell death. Protein dynamics dictate i. the structure-function relationship and are induced by “external” perturbations (e.g. ligand binding, chemical modifications, oligomerization) but can also be intrinsic. ii. protein evolvability by enabling promiscuity, for adaptation in a continuously fluctuating chemical environment. Decoding protein dynamics empowers protein and drug design.

This Research Topic aims to collect articles that critically present and analyze tools to monitor protein dynamics and methodologies that unravel the allosteric pathways responsible to generate and regulate them.

Determining protein dynamics is challenging, as it is required to follow (complex) biological systems at length- and time- scales that vary several orders of magnitude. However, progresses in the physical sciences allows us to probe them directly. Moreover, the advances in DNA sequencing techniques and structure determination approaches increased the availability of sequence/structure databases derived from genomes/proteomes of thousands of organisms. The application of powerful statistical tools allows one to examine and extract complex information from the variations in the genetic code. The capabilities for DNA synthesis enable us to test experimentally their effect on dynamics and understand how such modulate function. However, the array of biophysical and computational tools employed produce large and extremely heterogeneous data sets. Evidently, integrative approaches are required to combine them.

This collection welcomes Reviews, Mini Reviews, Perspectives in which authors provide their own view/analysis on the established approaches to probe protein dynamics and decode their regulation. Moreover, it desires to embrace Original Research regarding state-of-the-art tools and novel approaches on the topic. Areas of interest include, but are not limited to, the following:
• Experimental and computational tools to monitor and examine protein dynamics
• Integrative approaches to merge the outcome of the different approaches
• Protein dynamic in drug design
• Protein dynamics in protein design
• Models to describe protein dynamics and comparisons

Dr. Vitor Pinheiro holds shares in Kern Systems and has patents relating to the subject of the Research Topic. All other editors declare no conflicts of interest.


Keywords: Protein Dynamics, Evolution, Biophysics, Computational Approaches, Design, Experiments


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

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Submission Deadlines

27 August 2021 Abstract
25 December 2021 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

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Topic Editors

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Submission Deadlines

27 August 2021 Abstract
25 December 2021 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

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