Marco Pagliai
National Interuniversity Consortium of Materials Science and Technology(IT)University of Florence(IT)
Publications by Year
Research Areas
Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Protein Structure and Dynamics, Crystallography and molecular interactions, Computational Drug Discovery Methods
Most-Cited Works
- → Assessment of GAFF2 and OPLS-AA General Force Fields in Combination with the Water Models TIP3P, SPCE, and OPC3 for the Solvation Free Energy of Druglike Organic Molecules(2019)276 cited
- → Hydrogen bond dynamics in liquid methanol(2003)180 cited
- → Identification of potential binders of the main protease 3CLpro of the COVID-19 via structure-based ligand design and molecular modeling(2020)175 cited
- → The Vibrational Spectrum of Fullerene C60(2001)141 cited
- → SERS, XPS, and DFT Study of Adenine Adsorption on Silver and Gold Surfaces(2012)118 cited
- → The Infrared and Raman Spectra of Fullerene C70. DFT Calculations and Correlation with C60(2002)98 cited
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