Classical molecular dynamics simulation
Extraction of Dielectric Permittivity from Atomistic Molecular Dynamics Simulations and Microwave Measurements | The Journal of Physical Chemistry B
Molecular Dynamics: Integrators for eqs. of motion
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
Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
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
Soft Matter Simulation Notes
Molecular Dynamics at Constant Temperature | Qijing Zheng
Force field development and adaptive resolution methods for molecular dynamics simulations
Thermostat Algorithms for Molecular Dynamics Simulations
Enhanced Sampling of Molecular Dynamics Simulations of a Polyalanine Octapeptide: Effects of the Periodic Boundary Conditions on Peptide Conformation | The Journal of Physical Chemistry B
Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
EnCurv: Simple Technique of Maintaining Global Membrane Curvature in Molecular Dynamics Simulations | Journal of Chemical Theory and Computation
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
PDF) Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Molecular Dynamics: Integrators for eqs. of motion
Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Effects of Temperature Control Algorithms on Transport Properties and Kinetics in Molecular Dynamics Simulations | Journal of Chemical Theory and Computation
Energies | Free Full-Text | Molecular Dynamics Study on Water Flow Behaviour inside Planar Nanochannel Using Different Temperature Control Strategies
Structure and Aggregation Mechanism of β2-Microglobulin (83–99) Peptides Studied by Molecular Dynamics Simulations: Biophysical Journal
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Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics | The Journal of Physical Chemistry A
Explicit-Solvent Molecular Dynamics Simulations of the Polysaccharide Schizophyllan in Water: Biophysical Journal
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: Integrators for eqs. of motion
Qualitative Estimation of Protein–Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations | Journal of Chemical Information and Modeling
