Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
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Thermostat Algorithms for Molecular Dynamics Simulations | SpringerLink
Thermostat Algorithms for Molecular Dynamics Simulations
Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Thermostats and thermostat strategies for molecular dynamics simulations of nanofluidics: The Journal of Chemical Physics: Vol 138, No 8
Structure and Aggregation Mechanism of β2-Microglobulin (83–99) Peptides Studied by Molecular Dynamics Simulations: Biophysical Journal
Automation of absolute protein-ligand binding free energy calculations for docking refinement and compound evaluation | Scientific Reports
Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Thermostats and thermostat strategies for molecular dynamics simulations of nanofluidics: The Journal of Chemical Physics: Vol 138, No 8
Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics | The Journal of Physical Chemistry A
On the calculation of velocity-dependent properties in molecular dynamics simulations using the leapfrog integration algorithm: The Journal of Chemical Physics: Vol 127, No 18
Soft Matter Simulation Notes
Qualitative Estimation of Protein–Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations | Journal of Chemical Information and Modeling
Molecular Dynamics: Integrators for eqs. of motion
Molecular Dynamics Simulation of the Diffusion Dynamics of Linear DNA Fragments in Dilute Solution with the Parmbsc1 Force Field and Comparison with Experimental Data and Theoretical Models | Macromolecules
Molecular Dynamics Simulation of the n-Octacosane–Water Mixture Confined in Graphene Mesopores: Comparison of Atomistic and Coarse-Grained Calculations and the Effect of Catalyst Nanoparticle | Energy & Fuels
Effects of Temperature Control Algorithms on Transport Properties and Kinetics in Molecular Dynamics Simulations | Journal of Chemical Theory and Computation
