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Publications by Danial Sabri Dashti
Computing Alchemical Free Energy Differences With Hamiltonian Replica Exchange Molecular Dynamics (H-Remd) Simulations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Related publications
Free Energy Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy Calculations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Plasticity of 150-Loop in Influenza Neuraminidase Explored by Hamiltonian Replica Exchange Molecular Dynamics Simulations
PLoS ONE
Multidisciplinary
Error and Efficiency of Replica Exchange Molecular Dynamics Simulations
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Exchange Frequency in Replica Exchange Molecular Dynamics
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Cryo-Cooling Effect on DHFR Crystal Studied by Replica-Exchange Molecular Dynamics Simulations
Biophysical Journal
Biophysics
Calculation of Protein Heat Capacity From Replica-Exchange Molecular Dynamics Simulations With Different Implicit Solvent Models
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Capturing RNA Folding Free Energy With Coarse-Grained Molecular Dynamics Simulations
Scientific Reports
Multidisciplinary
Molecular Dynamics of Apo-Adenylate Kinase: A Distance Replica Exchange Method for the Free Energy of Conformational Fluctuations
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Replica Exchange Molecular Dynamics Simulations Provide Insight Into Substrate Recognition by Small Heat Shock Proteins
Biophysical Journal
Biophysics
