Detalhe da pesquisa
1.
A critical perspective on Markov state model treatments of protein-protein association using coarse-grained simulations.
J Chem Phys
; 154(8): 084101, 2021 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33639768
2.
Combining experimental and simulation data of molecular processes via augmented Markov models.
Proc Natl Acad Sci U S A
; 114(31): 8265-8270, 2017 08 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28716931
3.
The mechanism of RNA base fraying: Molecular dynamics simulations analyzed with core-set Markov state models.
J Chem Phys
; 150(15): 154123, 2019 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31005065
4.
Variational selection of features for molecular kinetics.
J Chem Phys
; 150(19): 194108, 2019 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31117766
5.
Identification of kinetic order parameters for non-equilibrium dynamics.
J Chem Phys
; 150(16): 164120, 2019 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31042914
6.
Multiensemble Markov models of molecular thermodynamics and kinetics.
Proc Natl Acad Sci U S A
; 113(23): E3221-30, 2016 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-27226302
7.
Identification of novel regulators of developmental hematopoiesis using Endoglin regulatory elements as molecular probes.
Blood
; 128(15): 1928-1939, 2016 10 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-27554085
8.
How to Distinguish Conformational Selection and Induced Fit Based on Chemical Relaxation Rates.
PLoS Comput Biol
; 12(9): e1005067, 2016 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-27636092
9.
Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations.
J Chem Phys
; 146(15): 154104, 2017 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-28433026
10.
Estimation and uncertainty of reversible Markov models.
J Chem Phys
; 143(17): 174101, 2015 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26547152
11.
Identification of slow molecular order parameters for Markov model construction.
J Chem Phys
; 139(1): 015102, 2013 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-23822324
12.
Balancing WNT signalling in early forebrain development: The role of LRP4 as a modulator of LRP6 function.
Front Cell Dev Biol
; 11: 1173688, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37091972
13.
Bayesian inference of kinetic schemes for ion channels by Kalman filtering.
Elife
; 112022 05 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35506659
14.
Diversity of Long-Lived Intermediates along the Binding Pathway of Imatinib to Abl Kinase Revealed by MD Simulations.
J Chem Theory Comput
; 16(12): 7852-7865, 2020 Dec 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-33147951
15.
Identification of Druggable Kinase Target Conformations Using Markov Model Metastable States Analysis of apo-Abl.
J Chem Theory Comput
; 16(3): 1896-1912, 2020 Mar 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-31999924
16.
Polymerization and editing modes of a high-fidelity DNA polymerase are linked by a well-defined path.
Nat Commun
; 11(1): 5379, 2020 10 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-33097731
17.
Correction: Bayesian inference of kinetic schemes for ion channels by Kalman filtering.
Elife
; 132024 Feb 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-38334489
18.
Identifying Conformational-Selection and Induced-Fit Aspects in the Binding-Induced Folding of PMI from Markov State Modeling of Atomistic Simulations.
J Phys Chem B
; 122(21): 5649-5656, 2018 05 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-29522679
19.
Author Correction: Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations.
Nat Commun
; 9(1): 1073, 2018 03 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-29523780
20.
Predicting the Kinetics of RNA Oligonucleotides Using Markov State Models.
J Chem Theory Comput
; 13(2): 926-934, 2017 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-28001394