Molecular modelling is a set of (computer-based) methods for calculating, modelling, and modifying the structures and reactions of molecules, as well as the properties that are influenced by these three-dimensional structures. Molecular modelling has become a crucial aspect of understanding, describing, and predicting the features of tiny organic compounds that could be used as drug candidates. Drug discovery (virtual screening), Compound synthesis (conformational analysis and reaction planning), activity rationalization (docking and molecular dynamics simulations), and lead optimization (including the prediction of anti-target effects) are all areas where modelling approaches are used.
Small molecule drug discovery can be a difficult and time-consuming procedure. A typical workflow starts with the identification of hits and the creation of assays and concludes with the selection of preclinical candidates. Small molecules are used to treat a wide range of diseases and conditions, and their mechanisms of action can be fairly different. They are also exploited to treat a wide range of diseases and conditions because of their small size and general physiochemical features.
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Stefania Raimondo, University of Palermo, Italy
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Miroslav Radenkovic, University of Belgrade, Serbia
Title : Pathology and patient safety: The vital role of electronic medical record and pathology informatics in error reduction and precision medicine
Consolato M Sergi, University of Ottawa, Canada
Title : Pro and con to dermpharm and tox assays- 2023
Howard I Maibach, University of California, United States
Title : mRNA-based systemically delivered directed gene therapy using nanomaterials
A C Matin, Stanford University, United States
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Hai Tao Wu, Dalian Polytechnic University, China
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Luis Jesus Villarreal Gomez, Autonomous University of Baja California, Mexico
Title : General and local anaesthetic agents: An analysis of their safety data
Francesca Gargano, Campus Bio-Medico University of Rome, Italy