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Etiquetas: acemd, binding, drugs, dynamics, enzyme, gpugrid, ligand, molecular, protein, simulation, trypsin

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Etiquetas: acemd, dynamics, gpcr, gpugrid, ions, molecular, protein, schizofrenia, simulation, sodium

This is a 50 ns all-atom simulation of the HIV-1 protease showing the wide-opening of the active site. The function of the HIV-1 protease is to cut polyprotein chains. It does so by changing...

Etiquetas: acemd, dynamics, gpugrid, hiv-1, hiv/aids, molecular, protease

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Etiquetas: acemd, binding, channel, drugs, dynamics, gpugrid, herg, ions, molecular, protein, simulation, sodium

Medicamento que suprime los ritmos cardíacos rápidos.

Etiquetas: acemd, binding, channel, drugs, dynamics, gpugrid, herg, ions, molecular, protein, simulation, sodium

Unfolding of villin headpiece.

Etiquetas: acemd, dynamics, gpugrid, molecular, protein, simulation, unfolding, villin

Iones de potasio pasando a través de los antibióticos.

Etiquetas: acemd, channel, dynamics, gpugrid, gramicidin, ions, molecular, potassium, protein, simulation

Molecular dynamics simulation of the binding affinity of the SH2 protein domain and a synthetic peptide. Done using the aceMD software on an NVIDIA GTX280. Join us at gpugrid.net

Etiquetas: acemd, biochemistry, biology, drug, dynamics, gpu, gpugrid, interaction, ligand, molecular, molecule, nvidia, protein, simulation

A potassium ion crosses a membrane passing through the Gramicidin A pore. This is a steered molecular modeling of all 29000 atoms of the system for approximately 3 microseconds. Water and...

Etiquetas: acemd, atom, channel, dynamics, gpu, gpugrid, gramicidin, ion, molecular, potassium, protein, simulation, transmembrane