Detalhe da pesquisa
1.
New paradigms in actomyosin energy transduction: Critical evaluation of non-traditional models for orthophosphate release.
Bioessays
; 45(9): e2300040, 2023 09.
Artigo
Inglês
| MEDLINE | ID: mdl-37366639
2.
Structural and thermodynamic characterization of allosteric transitions in human serum albumin with metadynamics simulations.
Phys Chem Chem Phys
; 26(7): 6436-6447, 2024 Feb 14.
Artigo
Inglês
| MEDLINE | ID: mdl-38317610
3.
QM/MM-Based Energy Decomposition Analysis Method for Large Systems.
J Phys Chem A
; 128(18): 3529-3538, 2024 May 09.
Artigo
Inglês
| MEDLINE | ID: mdl-38687960
4.
Allosteric enhancement of the BCR-Abl1 kinase inhibition activity of nilotinib by cobinding of asciminib.
J Biol Chem
; 298(8): 102238, 2022 08.
Artigo
Inglês
| MEDLINE | ID: mdl-35809644
5.
Combination strategies to overcome drug resistance in FLT+ acute myeloid leukaemia.
Cancer Cell Int
; 23(1): 161, 2023 Aug 11.
Artigo
Inglês
| MEDLINE | ID: mdl-37568211
6.
Estimating the Gibbs Hydration Energies of Actinium and Trans-Plutonium Actinides.
Chemphyschem
; 24(2): e202200516, 2023 01 17.
Artigo
Inglês
| MEDLINE | ID: mdl-36149643
7.
Multiscale QM/MM Simulations Identify the Roles of Asp239 and 1-OH···Nucleophile in Transition State Stabilization in Arabidopsis thaliana Cell-Wall Invertase 1.
J Chem Inf Model
; 63(15): 4827-4838, 2023 08 14.
Artigo
Inglês
| MEDLINE | ID: mdl-37503869
8.
Resistance to a tyrosine kinase inhibitor mediated by changes to the conformation space of the kinase.
Phys Chem Chem Phys
; 25(8): 6175-6183, 2023 Feb 22.
Artigo
Inglês
| MEDLINE | ID: mdl-36752538
9.
A general tight-binding based energy decomposition analysis scheme for intermolecular interactions in large molecules.
J Chem Phys
; 157(3): 034104, 2022 Jul 21.
Artigo
Inglês
| MEDLINE | ID: mdl-35868936
10.
Combating drug resistance in acute myeloid leukaemia by drug rotations: the effects of quizartinib and pexidartinib.
Cancer Cell Int
; 21(1): 198, 2021 Apr 08.
Artigo
Inglês
| MEDLINE | ID: mdl-33832508
11.
Understanding intermolecular interactions of large systems in ground state and excited state by using density functional based tight binding methods.
J Chem Phys
; 154(19): 194106, 2021 May 21.
Artigo
Inglês
| MEDLINE | ID: mdl-34240911
12.
Inferring time-dependent population growth rates in cell cultures undergoing adaptation.
BMC Bioinformatics
; 21(1): 583, 2020 Dec 17.
Artigo
Inglês
| MEDLINE | ID: mdl-33334308
13.
Reverse engineering directed gene regulatory networks from transcriptomics and proteomics data of biomining bacterial communities with approximate Bayesian computation and steady-state signalling simulations.
BMC Bioinformatics
; 21(1): 23, 2020 Jan 21.
Artigo
Inglês
| MEDLINE | ID: mdl-31964336
14.
The effects of combination treatments on drug resistance in chronic myeloid leukaemia: an evaluation of the tyrosine kinase inhibitors axitinib and asciminib.
BMC Cancer
; 20(1): 397, 2020 May 07.
Artigo
Inglês
| MEDLINE | ID: mdl-32380976
15.
Pattern and Dynamics of FLT3 Duplications.
J Chem Inf Model
; 60(8): 4005-4020, 2020 08 24.
Artigo
Inglês
| MEDLINE | ID: mdl-32680424
16.
Stochastic modelling of tyrosine kinase inhibitor rotation therapy in chronic myeloid leukaemia.
BMC Cancer
; 19(1): 508, 2019 May 28.
Artigo
Inglês
| MEDLINE | ID: mdl-31138173
17.
Specific Ion and Concentration Effects in Acetate Solutions with Na+ , K+ and Cs.
Chemphyschem
; 20(8): 1006-1010, 2019 04 16.
Artigo
Inglês
| MEDLINE | ID: mdl-30817057
18.
Conformational modifications induced by internal tandem duplications on the FLT3 kinase and juxtamembrane domains.
Phys Chem Chem Phys
; 21(34): 18467-18476, 2019 Aug 28.
Artigo
Inglês
| MEDLINE | ID: mdl-31342980
19.
Computer simulations of the signalling network in FLT3 +-acute myeloid leukaemia - indications for an optimal dosage of inhibitors against FLT3 and CDK6.
BMC Bioinformatics
; 19(1): 155, 2018 04 24.
Artigo
Inglês
| MEDLINE | ID: mdl-29699481
20.
Membrane-Ion Interactions.
J Membr Biol
; 251(3): 453-460, 2018 06.
Artigo
Inglês
| MEDLINE | ID: mdl-29330605