Barostat in Molecular Dynamics Simulation
Barostats are essential tools in molecular dynamics (MD) simulations for maintaining constant pressure conditions. These tools…
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September 29, 2023
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PyRx Software
AboutThe PyRx is a Virtual Screening package for Computational Drug Discovery that can be used to…
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July 3, 2023
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Thermostat in Molecular Dynamics Simulation
In molecular dynamics (MD) simulations, a thermostat is a tool used to control the temperature of…
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July 1, 2023
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Consistent Valence Force Field (CVFF)
The interatomic potential is an important parameter in molecular dynamics simulations. The Consistent Valence Force Field…
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December 3, 2022
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Membrane Generator (MemGen)
About: MemGen is online web-service which generates multi-component lipid membranes for molecular dynamics simulations. MemGen is…
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May 7, 2022
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Uniaxial Compression Simulation
This is a LAMMPS input to study deformation mechanisms during uniaxial compression process of an aluminum…
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February 7, 2022
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