scholarly journals Interaction Networks in Protein Folding via Atomic-Resolution Experiments and Long-Time-Scale Molecular Dynamics Simulations

2015 ◽  
Vol 137 (20) ◽  
pp. 6506-6516 ◽  
Author(s):  
Lorenzo Sborgi ◽  
Abhinav Verma ◽  
Stefano Piana ◽  
Kresten Lindorff-Larsen ◽  
Michele Cerminara ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Protein Folding ◽  
Molecular Dynamics Simulations ◽  
Time Scale ◽  
Interaction Networks ◽  
Atomic Resolution ◽  
Long Time ◽  
Dynamics Simulations

scholarly journals Machine learning enables long time scale molecular photodynamics simulations

2019 ◽  
Vol 10 (35) ◽  
pp. 8100-8107 ◽  
Author(s):  
Julia Westermayr ◽  
Michael Gastegger ◽  
Maximilian F. S. J. Menger ◽  
Sebastian Mai ◽  
Leticia González ◽  
...  
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Excited State ◽  
Molecular Dynamics Simulations ◽  
Time Scales ◽  
Time Scale ◽  
Long Time ◽  
Dynamics Simulations

Machine learning enables excited-state molecular dynamics simulations including nonadiabatic couplings on nanosecond time scales.

scholarly journals Long‐Time Protein Folding Dynamics from Short‐Time Molecular Dynamics Simulations

2006 ◽  
Vol 5 (4) ◽  
pp. 1214-1226 ◽  
Author(s):  
John D. Chodera ◽  
William C. Swope ◽  
Jed W. Pitera ◽  
Ken A. Dill
Keyword(s):  
Molecular Dynamics ◽  
Protein Folding ◽  
Molecular Dynamics Simulations ◽  
Folding Dynamics ◽  
Long Time ◽  
Dynamics Simulations ◽  
Short Time

PM-11Lattice Strain Analysis in Gold Nanorods by Means of Atomic Resolution HAADF-STEM Experiments and Molecular Dynamics Simulations

Microscopy ◽  
2017 ◽  
Vol 66 (suppl_1) ◽  
pp. i23-i23
Author(s):  
Kohei Aso ◽  
Jens Maebe ◽  
Tomokazu Yamamoto ◽  
Koji Shigematsu ◽  
Syo Matsumura
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Gold Nanorods ◽  
Strain Analysis ◽  
Atomic Resolution ◽  
Dynamics Simulations
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