Special Issue "Structure, Dynamics and Energetics of Biomolecular Processes: Forces Driving Macromolecular Association, Folding, and Recognition"

A special issue of Life (ISSN 2075-1729). This special issue belongs to the section "Biochemistry, Biophysics and Computational Biology".

Deadline for manuscript submissions: 31 December 2023 | Viewed by 296

Special Issue Editors

Department of Chemistry and Chemical Biology, Rutgers - The State University of New Jersey, Piscataway, NJ 08854, USA
Interests: protein-ligand interactions; thermodynamic driving forces; drug discovery and optimization
Prof. Dr. David P. Remeta
E-Mail Website
Guest Editor
Department of Chemistry and Chemical Biology, Rutgers - The State University of New Jersey, Piscataway, NJ 08854, USA
Interests: macromolecular association and folding; ligand-receptor binding energetics; drug-DNA interactions

Special Issue Information

Dear Colleagues,

Living cells encompass an exceptionally complex and intricate network of macromolecular interactions that mediate an array of biochemical processes orchestrated within the cellular machinery. These interactions are governed by molecular, dynamic, and energetic forces that collectively operate with unprecedented precision to control and regulate cellular functions. A myriad of nucleic acids, proteins, and biologically active compounds participate in ligand–target interactions that are exquisitely modulated by the surrounding solvent environment within the cellular milieu. Apart from the well-established role of macromolecular association and folding on functional activity, a substantial body of evidence has recently challenged the classical structure–function paradigm whereby a more dynamic and flexible ensemble of conformational states are integral participants in the cellular recognition and assembly process. These findings underscore the relevance of intrinsically disordered proteins and/or regions in mediating liquid–liquid phase separation. While essential for spatial–temporal organization of intracellular space, the aberrant formation of biomolecular condensates may harbor clues to elucidate the origins of specific pathogenic conditions, such as neurodegeneration and tumorigenesis. Understanding dysregulation related to protein misfolding and disease is an area of paramount importance for the design, development, and optimization of effective therapeutic agents. Such discoveries have accelerated as a consequence of significant advances in biophysical, molecular biology, and structural approaches. This Special Issue welcomes the contribution of original articles and reviews that focus on the structure, dynamics, and energetics of biological processes with particular emphasis on macromolecular association, folding, and recognition. Our objective is to compile a comprehensive overview of experimental and theoretical techniques that are aimed at facilitating advancements in this fundamental area of research. These studies invoke a multidisciplinary array of biophysical, computational, and structural approaches including analytical ultracentrifugation, differential scanning and isothermal titration calorimetry, surface plasmon resonance, molecular docking and modeling, nuclear magnetic resonance spectroscopy, atomic force microscopy, X-ray crystallography, and related methodologies at the interface of core technologies.

Prof. Dr. Conceição A. Minetti
Prof. Dr. David P. Remeta
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Life is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


  • molecular recognition and solvation
  • biomolecular structure and dynamics
  • ligand–receptor binding energetics
  • thermodynamic driving forces
  • macromolecular folding and stability
  • protein–nucleic acid interactions
  • intrinsically disordered proteins
  • liquid–liquid phase separation
  • protein aggregation and disease
  • drug discovery and optimization

Published Papers

This special issue is now open for submission.
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