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1.
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale.
J Chem Inf Model
; 62(22): 5622-5633, 2022 11 28.
Article
in English
| MEDLINE | ID: mdl-36351167
2.
Water-mediated interactions enable smooth substrate transport in a bacterial efflux pump.
Biochim Biophys Acta Gen Subj
; 1862(4): 836-845, 2018 Apr.
Article
in English
| MEDLINE | ID: mdl-29339082
3.
Insights into the homo-oligomerization properties of N-terminal coiled-coil domain of Ebola virus VP35 protein.
Virus Res
; 247: 61-70, 2018 03 02.
Article
in English
| MEDLINE | ID: mdl-29427597
4.
Computer simulations of the activity of RND efflux pumps.
Res Microbiol
; 169(7-8): 384-392, 2018.
Article
in English
| MEDLINE | ID: mdl-29407044
5.
A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter.
J Mol Biol
; 430(9): 1368-1385, 2018 04 27.
Article
in English
| MEDLINE | ID: mdl-29530612
6.
Computational modelling of efflux pumps and their inhibitors.
Essays Biochem
; 61(1): 141-156, 2017 02 28.
Article
in English
| MEDLINE | ID: mdl-28258237
7.
Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters.
Sci Rep
; 7(1): 8075, 2017 08 14.
Article
in English
| MEDLINE | ID: mdl-28808284
8.
Relevance of Ebola virus VP35 homo-dimerization on the type I interferon cascade inhibition.
Antivir Chem Chemother
; 27: 2040206619889220, 2019.
Article
in English
| MEDLINE | ID: mdl-31744306
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