Detalhe da pesquisa
1.
Single-molecule analysis reveals agonist-specific dimer formation of µ-opioid receptors.
Nat Chem Biol
; 16(9): 946-954, 2020 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32541966
2.
Multiscale molecular kinetics by coupling Markov state models and reaction-diffusion dynamics.
J Chem Phys
; 155(12): 124109, 2021 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34598578
3.
Modeling of Drug Diffusion Based on Concentration Profiles in Healthy and Damaged Human Skin.
Biophys J
; 117(5): 998-1008, 2019 09 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-31400921
4.
Role of bone morphogenetic proteins in sprouting angiogenesis: differential BMP receptor-dependent signaling pathways balance stalk vs. tip cell competence.
FASEB J
; 31(11): 4720-4733, 2017 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-28733457
5.
Data-driven computation of molecular reaction coordinates.
J Chem Phys
; 149(15): 154103, 2018 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30342463
6.
A kernel-based approach to molecular conformation analysis.
J Chem Phys
; 149(24): 244109, 2018 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30599717
7.
MSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulations.
J Chem Phys
; 148(21): 214107, 2018 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-29884049
8.
Sparse Proteomics Analysis - a compressed sensing-based approach for feature selection and classification of high-dimensional proteomics mass spectrometry data.
BMC Bioinformatics
; 18(1): 160, 2017 Mar 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-28274197
9.
Hybrid models for chemical reaction networks: Multiscale theory and application to gene regulatory systems.
J Chem Phys
; 147(11): 114115, 2017 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-28938803
10.
Set-free Markov state model building.
J Chem Phys
; 146(12): 124133, 2017 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28388134
11.
Optimal Treatment Strategies in the Context of 'Treatment for Prevention' against HIV-1 in Resource-Poor Settings.
PLoS Comput Biol
; 11(4): e1004200, 2015 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-25927964
12.
Effective dynamics along given reaction coordinates, and reaction rate theory.
Faraday Discuss
; 195: 365-394, 2016 12 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-27722497
13.
The spatiotemporal master equation: Approximation of reaction-diffusion dynamics via Markov state modeling.
J Chem Phys
; 145(21): 214107, 2016 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28799405
14.
On metastability and Markov state models for non-stationary molecular dynamics.
J Chem Phys
; 145(17): 174103, 2016 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-27825227
15.
Influence of pH and sequence in peptide aggregation via molecular simulation.
J Chem Phys
; 143(24): 243130, 2015 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26723615
16.
Chemical potential of liquids and mixtures via adaptive resolution simulation.
J Chem Phys
; 141(3): 034102, 2014 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-25053296
17.
Partial mean-field model for neurotransmission dynamics.
Math Biosci
; 369: 109143, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-38220067
18.
Characterising information gains and losses when collecting multiple epidemic model outputs.
Epidemics
; 47: 100765, 2024 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-38643546
19.
HIV-1 polymerase inhibition by nucleoside analogs: cellular- and kinetic parameters of efficacy, susceptibility and resistance selection.
PLoS Comput Biol
; 8(1): e1002359, 2012 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-22275860
20.
Molecular Dynamics vs. Stochastic Processes: Are We Heading Anywhere?
Entropy (Basel)
; 20(5)2018 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33265438