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Journal of Chemical Theory and Computation|January 10, 2026
Efficient Protein-Ligand Binding Free Energy Estimation with Coarse-Grained Funnel MetadynamicsAndrea Grazzi, Chelsea M Brown, Maurizio Sironi, et al.Angewandte Chemie (International Ed. in English)|January 19, 2021
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron DensityEmil Damgaard-Møller, Lennard Krause, Kasper Tolborg, et al.Current Medicinal Chemistry|November 28, 2009
Molecular recognition and drug-lead identification: what can molecular simulations tell us?Giulia Morra, Alessandro Genoni, Marco A C Neves, et al.Physical Chemistry Chemical Physics : PCCP|October 5, 2022
The N,N,N-trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studiesAndrea Daolio, Erna K Wieduwilt, Andrea Pizzi, et al.Physical Chemistry Chemical Physics : PCCP|June 29, 2006
A molecular dynamics study of human endostatin and its synthetic fragments with antiangiogenic propertiesStefano Pieraccini, Maurizio Sironi, Pierangelo Francescato, et al.Journal of Agricultural and Food Chemistry|January 10, 2008
Studies on umami taste. Synthesis of new guanosine 5'-phosphate derivatives and their synergistic effect with monosodium glutamatePaola Cairoli, Stefano Pieraccini, Maurizio Sironi, et al.Molecules (Basel, Switzerland)|February 25, 2023
Resonance Raman and Visible Micro-Spectroscopy for the In-Vivo and In-Vitro Characterization of Anthocyanin-Based Pigments in Blue and Violet Flowers: A Comparison with HPLC-ESI- MS Analysis of the ExtractsSilvia Bruni, Margherita Longoni, Camilla Minzoni, et al.Journal of the American Chemical Society|February 16, 2011
Metadynamics study of a β-hairpin stability in mixed solventsGiorgio Saladino, Stefano Pieraccini, Stefano Rendine, et al.Journal of Chemical Theory and Computation|January 19, 2023
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index AnalysesErna K Wieduwilt, Roberto A Boto, Giovanni Macetti, et al.The Journal of Physical Chemistry. B|October 28, 2020
Simulating Multiple Substrate-Binding Events by γ-Glutamyltransferase Using Accelerated Molecular DynamicsFrancesco Oliva, Jose C Flores-Canales, Stefano Pieraccini, et al.Pageof 10