Koji Okuwaki
0000-0002-4510-5717
Rikkyo University
13 papers found
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Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID:6LU7)
Reduction of Orbital Space for Molecular Orbital Calculations with Quantum Computation Simulator for Educations
Destabilization of DNA through interstrand crosslinking by UO22+
Cm3+/Eu3+induced structural, mechanistic and functional implications for calmodulin
Formation Mechanism of Lipid Membrane and Vesicle Using Small Angle X-ray Scattering and Dissipative Particle Dynamics (DPD) Method
Development and Application of FMO Calculation − DPD Simulation Conbination Scheme
Theoretical analyses on water cluster structures in polymer electrolyte membrane by using dissipative particle dynamics simulations with fragment molecular orbital based effective parameters
Application of TensorFlow to recognition of visualized results of fragment molecular orbital (FMO) calculations
An automated framework to evaluate effective interactionparameters for dissipative particle dynamics simulations basedon the fragment molecular orbital (FMO) method
Fragment Molecular Orbital Based Parametrization Procedure for Mesoscopic Structure Prediction of Polymeric Materials
Dissipative particle dynamics (DPD) simulations with fragment molecular orbital (FMO) based effective parameters for 1-Palmitoyl-2-oleoyl phosphatidyl choline (POPC) membrane
Development and Performance Evaluation of a Simulation Code for Dissipative Particle Dynamics (DPD) CAMUS
A New Treatment for Water near the Interface between Lipid Membrane and Silica in Dissipative Particle Dynamics Simulation
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