Enhanced sampling - Globe Thesis

Keyword [Enhanced sampling] Result: 1 - 18 \| Page: 1 of 1
1.	Multi-scale Simulation Of Protein Conformational Changes And Exploration Of The Underlying Mechanisms
2.	Protein Dynamics Studied By All-Atom Simulations Combined With Experimental Data
3.	Investigation Of The Conformational Fluctuations In Multiple Flexible Protein Regions With Harmonic Linear Discriminant Analysis
4.	Non-equal Time Rules In Free Energy Simulation
5.	First-Principles Studies Of Environmental Effects In Electron Transport And Surface Reaction
6.	Molecular Dynamics Simulations On Intrinsically Disordered Proteins By Enhanced Sampling And NMR Restraints
7.	Prediction Of Amino Acid Energy Based On Deep Tensor Neural Network Theory
8.	Accelerating The Binding/release Process Between Protein And Ligands Based On Multiple Independent Simulations And The Influence Of Force Field On Protein Structure Sampling
9.	Towards More Efficient Enhanced Sampling Methods To Study Phase Transitions
10.	Enhanced sampling and global optimization techniques for complex systems
11.	Enhanced Sampling Methods Integrate Small-angle X-ray Scattering Data To Simulate The Dynamic Structures Of Highly Flexible Proteins
12.	Studies To Improve Molecular Dynamics Simulation Accuracy In Protein Systems With Elastic Network Model And Polarizable Force Fields
13.	Theoretical And Computational Studies Of Structure-Function Relationship In Light-Harvesting Protein And MUP-Ligand Complex
14.	Enhanced Sampling And Markov State Model Analysis For Biomolecule
15.	Molecular Dynamics Simulations Of Protein Dynamics And High Efficiency Sampling Methods
16.	Molecular Dynamics Simulations Study Of The Effects Of Several Different Factors On Enzyme Activity
17.	Research On Enhanced Sampling Of Amino Acids Based On TensorMol
18.	Investigating The Folding Mechanism Of The N-terminal Domain Of Ribosomal Protein L9
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