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Keyword [Free energy calculation]
Result: 1 - 19 | Page: 1 of 1
1.
Molecular Dynamics Simulation And Free Energy Calculation Study Several Biological Systems
2.
Fast Prediction Of Biomolecular Conformational Equilibria Using One-step Perturbation
3.
The Interactions, Structure Prediction And Free Energy Calculations Of Protein And Its Ligand
4.
Computer Simulation Of Binding Free Energy And Conformational Changes For Bio-Macromolecule
5.
Nanoconfined Amphiphile Aqueous Solutions Studied By Molecular Dynamics Simulations
6.
Free Energy Calculation In Complex Systems Based On Configurational Space Discretization
7.
Free Energy Calculation For Biomolecules: Accuracy And Precision
8.
Insight Into The Interaction Mechanism Of Carbon Nanomaterials In Regard To PTP1B And Cellulase: A Molecular Dynamics Study
9.
The Interaction Entropy Method Was Used To Study The Effects Of Electrostatic Polarization And The Binding Affinity Of Bridge Water Molecules On CDK2-ligand Binding Affinity
10.
Molecular Dynamics Simulations And Hydrogen Bond Network Modeling Of Sugar Transporters
11.
Theoretical Study Of Free Energy Calculations With Multiscale Simulations
12.
Theoretical Studies On The Effect Of Protein Secondary Structure Changes Induce Its Activity Using Molecular Dynamic Simulations
13.
Molecular Dynamic Study On The Applications Of Graphene Quantum Dots In Biomedicine
14.
Understanding complex bio-molecular events via the orthogonal space sampling scheme
15.
Theoretical And Computational Studies Of Structure-Function Relationship In Light-Harvesting Protein And MUP-Ligand Complex
16.
Enhanced Sampling And Markov State Model Analysis For Biomolecule
17.
Research And Application Of Calculation Method Of Protein-protein Binding Free Energy
18.
Optimized And Applied The Binding Free Energy Calculator Based On MM/PBSA Combined With Interaction Entropy Method
19.
Multi-scale Simulation Study On The Selectivity Of Parvalbumin B Protein To Magnesium And Calcium Ions
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