umbrella sampling - Globe Thesis

Keyword [umbrella sampling] Result: 1 - 17 \| Page: 1 of 1
1.	Quantum Instanton Theory And Its Applications To Chemical Reaction Rates In Complex Systems
2.	Studies On Design Of Dual Target Kinase Inhibitors And Dissociation Pathway Of Type â…¡ Inhibitor
3.	Free Energy Calculation By Jarzynski Equality For Biomolecular Complex
4.	Construction And Applications Of A Coarse-grained DNA Model
5.	Molecular Dynamics Simulation Of Solid Selective Adsorption And Surfactants And Self-assembles
6.	Enhanced QM/MM Free Energy Calculations For Chemical Processes In Condensed Phase
7.	Design And Molecular Simulations Of Anti-cancer Drugs For Kinases
8.	Discovery Of BRD4 Inhibitors And Molecular Modeling Study On Their Mechanism Of Action
9.	Molecular Dynamics Simulation To Study The Hydration Of Carboxyammonium Zwitterion
10.	Molecular Simulations On The Adhesion Of DOPA And Its Derivatives
11.	Insights Into The Process Of Product Expulsion In Cellobiohydrolase Ce16A From Trichoderma Reesei By Molecular Dynamics Simulation
12.	Quantum Dynamics Study Of Small Molecules Reactions In Gas Phase And On Metal Surfaces
13.	Theoretical Study On The Mechanism Of Enzyme Degradation Of Biodegradable Polyester Plastics In Environment
14.	A Study On The Interaction Mechanism Of The Natural Product Falcarindiol With Human GABA_A Receptor
15.	Experiments And Molecular Dynamics Simulation On Self-Assembly Of Surfactants And Inclusion Of Surfactants
16.	Virtual Screening,Activity Evaluation And Molecular Simulation Study Of HPK1 Inhibitors
17.	Theoretical Investigation On Interfacial Modification And Size Effect Of Gold Nanoclusters Interacting With Cell Membranes
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