Detalhe da pesquisa
1.
Can membrane composition traffic toxins? Mycolactone and preferential membrane interactions.
Biophys J
; 121(22): 4260-4270, 2022 11 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36258678
2.
Improving the accuracy and convergence of drug permeation simulations via machine-learned collective variables.
J Chem Phys
; 155(4): 045101, 2021 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34340389
3.
One Descriptor to Fold Them All: Harnessing Intuition and Machine Learning to Identify Transferable Lasso Peptide Reaction Coordinates.
J Phys Chem B
; 128(17): 4063-4075, 2024 May 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-38568862
4.
Mycolactone A vs. B: Multiscale Simulations Reveal the Roles of Localization and Association in Isomer-Specific Toxicity.
Toxins (Basel)
; 15(8)2023 08 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-37624243
5.
Mycolactone A vs. B: Does localization or association explain isomer-specific toxicity?
bioRxiv
; 2023 May 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37292660