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Integration between Computational and Experimental Biophysical Techniques in the Study of Biologically Relevant Systems

Special Issue Information

Dear Colleagues,

Today, computational and experimental biophysics methodologies frequently complement each other in the investigation of biological systems.

In particular, the development of new codes and hardware have made it possible to run more extensive simulations and to describe systems with a higher level of resolution. This has simplified the direct comparison between experimental and theoretical observations.

The data obtained from these studies can be used to speed up the development of innovative molecules such as drugs, peptides, recombinant proteins, and antibodies.

For this Special Issue, we invite the submission of original contributions, short communications, or review articles that describe the application of computational techniques to interpret biophysical data, the use of biophysical observations to validate computational methodologies or the integration of computational and experimental approaches in the design of new molecules.

Dr. Jacopo Sgrignani
Prof. Giovanni Grazioso
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. Molecules is an international peer-reviewed open access semimonthly 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 2700 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.

Keywords

  • computational and experimental biophysics
  • molecular dynamics
  • free energy
  • QM/MM
  • enzymatic kinetics
  • SPR
  • MST
  • molecular binding
  • docking

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Molecules - ISSN 1420-3049Creative Common CC BY license