J V Vermaas
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Explore the profile of J V Vermaas including associated specialties, affiliations and a list of published articles.
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4
Citations
86
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Recent Articles
1.
Ayala Mariscal S, Pigazzini M, Richter Y, Ozel M, Grothaus I, Protze J, et al.
Nat Commun
. 2022 Aug;
13(1):4692.
PMID: 35948542
Huntington's disease is a neurodegenerative disease caused by an expanded polyQ stretch within Huntingtin (HTT) that renders the protein aggregation-prone, ultimately resulting in the formation of amyloid fibrils. A trimeric...
2.
Acharya A, Agarwal R, Baker M, Baudry J, Bhowmik D, Boehm S, et al.
J Chem Inf Model
. 2020 Dec;
60(12):5832-5852.
PMID: 33326239
We present a supercomputer-driven pipeline for in silico drug discovery using enhanced sampling molecular dynamics (MD) and ensemble docking. Ensemble docking makes use of MD results by docking compound databases...
3.
Acharya A, Agarwal R, Baker M, Baudry J, Bhowmik D, Boehm S, et al.
ChemRxiv
. 2020 Nov;
PMID: 33200117
We present a supercomputer-driven pipeline for drug discovery using enhanced sampling molecular dynamics (MD) and ensemble docking. We also describe preliminary results obtained for 23 systems involving eight protein targets...
4.
Vermaas J, Trebesch N, Mayne C, Thangapandian S, Shekhar M, Mahinthichaichan P, et al.
Methods Enzymol
. 2016 Aug;
578:373-428.
PMID: 27497175
Membrane transporters mediate one of the most fundamental processes in biology. They are the main gatekeepers controlling active traffic of materials in a highly selective and regulated manner between different...