![]() ![]() The local environment of each residue is complex and depends on the chemical nature of the side chain and the location in the protein. In this field, recently we likewise have developed a computational method, based on molecular dynamics data, for the investigation of the hydrophilicity and hydrophobicity features of the 20 natural amino acids, analyzing the changes occurring in the hydrogen bond network of water molecules surrounding each given compound. Over the past decades, many descriptors were devised to evaluate the hydrophobicity of side chains. 3Department of Molecular Medicine, Sapienza University, Rome, ItalyĪssessing the hydropathy properties of molecules, like proteins and chemical compounds, has a crucial role in many fields of computational biology, such as drug design, biomolecular interaction, and folding prediction.2Department of Physics, Sapienza University, Rome, Italy. ![]() 1Center for Life Nanoscience, Istituto Italiano di Tecnologia, Rome, Italy.Lorenzo Di Rienzo 1 †, Mattia Miotto 1,2 †, Leonardo Bò 1, Giancarlo Ruocco 1,2, Domenico Raimondo 3* and Edoardo Milanetti 1,2* ![]()
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