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Special Issue "Computer Simulation for Drug Design and Medical Bioengineering"
A special issue of Pharmaceutics (ISSN 1999-4923). This special issue belongs to the section "Drug Targeting and Design".
Deadline for manuscript submissions: 30 June 2023 | Viewed by 4795
Special Issue Editors
Interests: computational biology; bioinformatics
Interests: bioinformatics; cheminformatics; drug design and discovery; QSAR; neuropsychiatry
Special Issue Information
The discovery of natural and synthetic chemical compounds as candidates for pharmaceutical drugs is essential scientifically, socially, and economically in medical and bioengineering fields. Improvements in bioinformatics and computational biology have increased the efficiency of many stages of the drug discovery pipeline. Computer-aided tools which are used in drug discovery are critical for many human pathologies. Special attention has been paid to drug design for cancers and brain pathologies and, in the last two years, for SARS-CoV2 infection. Bioinformatics methods such as molecular dynamics, molecular docking, fragment-based screening (FBS), and QSAR, are strategically used when new chemicals being considered for potential drugs. Pharmacological features, represented by pharmacokinetic (absorption, distribution, metabolism, and excretion), pharmacodynamic (targets discovery), and toxicity profiles are critical for assessing proposed chemical structures for new candidate drugs. Additionally, bioengineering tools being employed to develop in silico tools.
For this Special Issue of Pharmaceutics, “Computer Simulation for Drug Design and Medical Bioengineering”, we welcome the submission of primary research and review articles that are focused on drug design, molecular docking, molecular dynamics, QSAR, and pharmacology. Interdisciplinary studies are encouraged for submission.
Prof. Dr. Catalin Buiu
Prof. Dr. Speranta Avram
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. Pharmaceutics 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.
- bioengineering in human disorders
- pharmacokinetic/pharmacodynamic profile
- molecular docking
- molecular dynamics
- drug design for cancer
- drug design for brain disorders
- anti-SARS-CoV2 drug design
- structure-based drug design
- fragment-based screening (FBS)