Results for "dynamics"
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GROMACS: a versatile package to perform molecular dynamics
GROMACS is a versatile package to perform molecular dynamics, i.e simulate the Newtonian equations of motion for systems with hundreds to millions of particles. GROMACS is able to work with many biochemical molecules like proteins, lipids and nucleic acids. The WeNMR GROMACS web portal combines t...Tags: GROMACS, versatile, package, perform, molecular, dynamics
1367 days ago
oGNM:Conformational dynamics based on contact topology in a coarse-grained presentation
Gaussian Network Model (GNM) is a powerful tool to sample conformational dynamics based on contact topology in a coarse-grained presentation. Here we present a method to consider protein dynamics in the presence of ‘environment’ (1). The ‘environment’ here can be crystal c...Tags: conformational, dynamics, contact, topology, coarse-grained, presentation, oGNM
839 days ago
