Showing results (1-10 of 296) with videos related to
Sort By:
Pageof 30
Journal of Chemical Theory and Computation|November 24, 2018
Hybrid Cascade-Type Molecular Dynamics with a Markov State Model for Efficient Free Energy CalculationsRyuhei Harada, Yasuteru ShigetaJournal of Chemical Information and Modeling|August 20, 2019
Selection Rules for Outliers in Outlier Flooding Method Regulate Its Conformational Sampling EfficiencyRyuhei Harada, Yasuteru ShigetaJournal of Chemical Theory and Computation|February 8, 2017
Efficient Conformational Search Based on Structural Dissimilarity Sampling: Applications for Reproducing Structural Transitions of ProteinsRyuhei Harada, Yasuteru ShigetaPhysical Chemistry Chemical Physics : PCCP|June 21, 2018
How low-resolution structural data predict the conformational changes of a protein: a study on data-driven molecular dynamics simulationsRyuhei Harada, Yasuteru ShigetaJournal of Molecular Graphics & Modelling|September 12, 2018
Selection rules on initial structures in parallel cascade selection molecular dynamics affect conformational sampling efficiencyRyuhei Harada, Yasuteru ShigetaJournal of Chemical Information and Modeling|November 8, 2017
Self-Avoiding Conformational Sampling Based on Histories of Past Conformational SearchesRyuhei Harada, Yasuteru ShigetaJournal of Computational Chemistry|September 2, 2017
Temperature-shuffled parallel cascade selection molecular dynamics accelerates the structural transitions of proteinsRyuhei Harada, Yasuteru ShigetaJournal of Chemical Theory and Computation|May 5, 2018
On-the-Fly Specifications of Reaction Coordinates in Parallel Cascade Selection Molecular Dynamics Accelerate Conformational Transitions of ProteinsRyuhei Harada, Yasuteru ShigetaJournal of Computational Chemistry|May 31, 2017
Structural dissimilarity sampling with dynamically self-guiding selectionRyuhei Harada, Yasuteru ShigetaJournal of Chemical Information and Modeling|June 9, 2018
Temperature-Shuffled Structural Dissimilarity Sampling Based on a Root-Mean-Square DeviationRyuhei Harada, Yasuteru ShigetaPageof 30