2021-08-26 06:24 The quality of X-ray diffraction data of the protein crystal can determine the success rate of the subsequent steps of structure determination and the reliability of the reconstructed three-dimensional (3D) structural model. After successfully obtain ... дальше
2021-04-22 21:12 The quality of X-ray diffraction data of the protein crystal can determine the success rate of the subsequent steps of structure determination and the reliability of the reconstructed three-dimensional (3D) structural model. After successfully obtain ... дальше
2020-09-29 17:06 Molecular dynamics (MD) simulation is an in-silico simulation technique applied to study the physical movements of atoms and molecules. It enables one to use the laws of physics to predict the time-dependent evolution of interacting particle systems. ... дальше
2020-09-29 17:06 Obtaining the structural information of the complex of an individual protein with other molecules (such as proteins, nucleic acids, and small molecules) can help understand the mechanism underlying such interaction, which is significant for drug disc ... дальше
2020-08-17 19:12 MD simulation is particularly useful in computer-aided drug discovery (CADD) for the identification of hidden or allosteric binding sites, enhancement of traditional virtual screening methods, and direct prediction of the binding energy of small mole ... дальше
