Special issue on “In Silico Activity Profiling of Natural Products” is collecting papers

Corr. Member Professor Ilza Pajeva from IBPhBME and Dr. Mattia Mori from University of Siena are the guest editors of a new Special Issue for the MDPI journal “Molecules” (IF: 3.267) titled In Silico Activity Profiling of Natural Products”.

The special issue is collecting original research contributions, short communications or review articles that report on the most recent achievements in the development and application of in silico approaches with a special focus on the investigation of natural products. The studies can address pharmacokinetic and pharmacodynamic aspects of the bioactive compound making use of a broad arsenal of in silico approaches such as ligand- and structure-based methods, molecular dynamics simulations, as well as their combination. The incorporation of experimental means of verification of theoretical studies in submitted manuscripts will be considered as a plus.

The deadline for manuscript submissions is 15 May 2021.

For more information about the issue, check:


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