ReviewCurrent drug targets2026
Molecular Dynamics Simulations and Current Trends in Designing New Antivirals Targeting Proteases: A Review from 2018 to 2025.
Review in Current drug targets, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Authors and funding
4 authors.
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Abstract
In recent years, Molecular Dynamics (MD) simulations have emerged as a cornerstone in molecular biology and antiviral drug discovery, driven by the growing demand for high-resolution insights into biomolecular behaviour. This surge in relevance stems from the need to understand complex molecular mechanisms at an atomic scale, an area where traditional experimental techniques often face limitations. MD simulations offer a powerful computational framework capable of capturing the dynamic behaviour of proteases and other biomolecules with unparalleled spatial and temporal resolution. As a result, they have become instrumental in elucidating protein inhibition mechanisms, unveiling the molecular basis of various diseases, and guiding the rational design and optimization of therapeutic agents. In this review, we synthesize recent advances in the application of MD simulations to the study of protease inhibitors, highlighting their transformative impact on drug discovery and structural biology.
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41572761What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.