Fast Dynamics and Function in Biomolecules

Dear Colleagues,

To fully comprehend how proteins carry out their biological functions, a thorough understanding of their dynamics is required, with such knowledge being fundamental for engineering proteins for specific functions and designing next-generation therapeutics. Apart from significant conformational changes and domain movements, numerous subtle dynamical mechanisms contribute to the degree of protein flexibility that is important to a specific biological function. These fast motions include both confined diffusive dynamics of small atomic groups in the biomolecule and collective vibrational modes. In this Special Issue, we plan to illustrate some key cases where such fast dynamics deeply impact the specific activity of biomolecules. This Special Issue will provide selected contributions on the pico- and sub-picosecond dynamic mechanisms that have a role in the biological function of proteins, nucleic acids and membranes.

Potential topics include, but are not limited to, the following:

• Incoherent vibrational dynamics and function;
• Coherent vibrational dynamics and function;
• Incoherent diffusive dynamics and function;
• Conformational dynamics and function;
• The role of fast dynamics and interaction between proteins and small molecules;
• The role of fast dynamics and interaction between nucleic acids and small molecules;
• The role of the environment in modulating the biomolecule’s fast dynamics;
• The impact of biological water on the biomolecule’s fast dynamics.

Prof. Dr. Alessandro Paciaroni
Guest Editor

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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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.

• protein function
• DNA function
• protein dynamics
• DNA dynamics
• molecular dynamics simulations
• neutron spectroscopy
• X-ray spectroscopy
• vibrational spectroscopy
• model of biological systems