Obtaining reaction coordinates by likelihood maximization.
about
A two-step nucleotide-flipping mechanism enables kinetic discrimination of DNA lesions by AGTCoupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II.Machine learning assembly landscapes from particle tracking data.Estimating diffusivity along a reaction coordinate in the high friction limit: Insights on pulse times in laser-induced nucleation.Investigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string methodPredicting the reaction coordinates of millisecond light-induced conformational changes in photoactive yellow proteinRecent developments in methods for identifying reaction coordinates.An experimental and computational investigation of spontaneous lasso formation in microcin J25.Toward Identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method.Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation.Characterization of a dynamic string method for the construction of transition pathways in molecular reactionsToward the mechanism of ionic dissociation in waterReaction mechanism and reaction coordinates from the viewpoint of energy flowSpectral gap optimization of order parameters for sampling complex molecular systemsα-helix to β-hairpin transition of human amylin monomer.QM/MM free energy simulations: recent progress and challengesTransition path theory analysis of c-Src kinase activationThe stochastic separatrix and the reaction coordinate for complex systems.Protein dynamics and the enzymatic reaction coordinate.Machine learning for autonomous crystal structure identification.Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations.Dynamic colloidal assembly pathways via low dimensional models.Protein dynamics and enzymatic chemical barrier passage.Nonlinear machine learning and design of reconfigurable digital colloids.Calculating Iso-Committor Surfaces as Optimal Reaction Coordinates with MilestoningResponse to Comment on "Towards identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method" by D. Antoniou and S. Schwartz, J. Phys. Chem. B. 115, 2465-2469 (2011).Revisiting and computing reaction coordinates with Directional Milestoning.Elucidating the locking mechanism of peptides onto growing amyloid fibrils through transition path sampling.Unlocking the atomic-level details of amyloid fibril growth through advanced biomolecular simulations.Experiments and comprehensive simulations of the formation of a helical turnHow wet should be the reaction coordinate for ligand unbinding?A benchmark for reaction coordinates in the transition path ensembleOn the assumptions underlying milestoning.Reducing the cost of evaluating the committor by a fitting procedure.Rate constant and reaction coordinate of Trp-cage folding in explicit water.Decomposition of energy and free energy changes by following the flow of work along reaction path.On the coupling between slow diffusion transport and barrier crossing in nucleation.Transition path sampling for discrete master equations with absorbing states.Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency.Limit of validity of Ostwald's rule of stages in a statistical mechanical model of crystallization.
P2860
Q30481618-7CE31411-A990-42E6-90C3-BECFCE75AE60Q30804652-1B9D122F-1C7D-43EC-B248-D0390CCB6952Q30991481-34B4AA19-763B-4E7D-B038-F6920AE34A56Q33517748-619F30D7-EA07-4146-963B-BEF61F79BB67Q33655613-ECF689EF-7C89-499E-9C37-51B992C103E1Q33664368-DAD8186A-C1AE-441F-8D64-4234EE0133AEQ34125552-812E7105-8FFE-4EF4-92DD-832BB2DE763EQ34250528-17FC8E09-D69B-4B71-9A4F-67B54E216F3BQ34684438-18AA5A5B-EFF1-4DCE-9829-A66CCCC69234Q35546784-5EBC816D-7B99-4C64-A091-AD97F41FF69BQ36120580-5CB2AB7E-071A-402C-B780-0B81D875F5C5Q36570684-626C9663-AD46-45BC-BD47-A59DF6E885CEQ36703733-F1E8FFE8-CF49-4C5F-8164-05258A4D4842Q36710407-6D5E7170-52FB-4A16-99A3-09825A0DC5BFQ36815150-16531E9C-091F-42E6-A19B-887787E7D931Q37194421-7025319C-6FF6-4215-9A7E-2F18FD482003Q37200101-44663D3B-CE68-42B5-9908-8FAE87614AAFQ37285416-0676B60C-9B90-4586-B744-FDB112DBE7B2Q38091003-0CF35DFB-459A-40D1-8ED2-5E21CFF7D4FDQ38722499-91B9A1AE-6FB3-482E-A8EA-BFD7A3E8C47FQ38825262-2DDFDCCD-1F5F-4305-A156-B8AED5D8FF15Q39718051-AFBC4731-E17D-43B8-8B91-FD8DCCB79B2CQ39978370-2026D47F-9B99-4AC0-9122-518302F11C1FQ40395861-7ACC5C11-C086-4109-B482-40D2EAF8D04FQ41151246-14BE8D56-A245-42C8-9E6F-651698A87C59Q41435216-47B2057F-A5C8-4322-BB71-5326D22A6783Q41859162-FE4BF763-244D-4B9E-BE77-0E47CBEB4DC6Q42020233-33D6B7E7-7DF7-4A38-A2D3-705C3AC88C15Q42037579-11F795EA-C217-4CFA-AED1-BF003984CC5FQ42178332-C3942983-61BF-4E2A-A077-EEEF53ED633BQ42377074-CA7460FC-9A61-4E7A-87AD-28C24E2C6D0CQ42415254-5F3B0B4A-694F-45F8-A39F-335C8D008F5EQ43176529-F836BF44-E046-4E79-98E6-8E9F8F3696D8Q43184795-860FC931-0FCB-4C30-9EB9-CB6D376FA6C9Q43222586-8FFF183E-0762-4227-9267-828E3EE747EFQ43260869-43E7E947-62AC-471F-A1C2-AF0CC0F3FD07Q44255201-73FF84CA-E36C-4BAA-A71E-4E138600FADBQ44846471-59E0A0E1-46EC-49FB-A1FE-D0AE98E82045Q45156666-EB7FB66B-2A46-470A-AB45-DB85644AC164Q45931700-BF81F806-B1A7-4F70-9446-29C959F88E4C
P2860
Obtaining reaction coordinates by likelihood maximization.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
@zh-hant
name
Obtaining reaction coordinates by likelihood maximization.
@en
Obtaining reaction coordinates by likelihood maximization.
@nl
type
label
Obtaining reaction coordinates by likelihood maximization.
@en
Obtaining reaction coordinates by likelihood maximization.
@nl
prefLabel
Obtaining reaction coordinates by likelihood maximization.
@en
Obtaining reaction coordinates by likelihood maximization.
@nl
P2860
P356
P1476
Obtaining reaction coordinates by likelihood maximization.
@en
P2093
Baron Peters
Bernhardt L Trout
P2860
P304
P356
10.1063/1.2234477
P407
P577
2006-08-01T00:00:00Z