2021-09-24 08:10 Molecular dynamics simulation provides a computational tool that can detect membrane proteins and systems, with lengths ranging from nanometers to near micrometers, and the range is microseconds. All atomic and coarse-grained simulations can be used ... дальше
2021-07-21 11:35 Molecular dynamics is a set of molecular simulation methods that encompass physics, mathematics, and chemistry. It mainly relies on Newtonian mechanics to simulate the motion of a molecular system and to extract samples from a system composed of diff ... дальше
2020-12-21 20:17 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 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
2020-08-17 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
