Jeffery B Klauda
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Explore the profile of Jeffery B Klauda including associated specialties, affiliations and a list of published articles.
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Articles
133
Citations
7536
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Recent Articles
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Allsopp R, Klauda J
Biochemistry
. 2025 Jan;
64(2):509-524.
PMID: 39749909
Traumatic brain injury (TBI) is a serious health condition that affects an increasing number of people, especially veterans and athletes. TBI causes serious consequences because of its long-lasting impact on...
3.
Mondal K, Klauda J
J Chem Phys
. 2024 Dec;
161(24).
PMID: 39723706
Clustering is a type of machine learning technique, which is used to group huge amounts of data based on their similarity into separate groups or clusters. Clustering is a very...
4.
Campbell O, Allsopp R, Klauda J, Monje V
Methods Mol Biol
. 2024 Dec;
2888:281-303.
PMID: 39699738
All-atom molecular dynamics (AAMD) is a computational technique that predicts the movement of particles based on the intermolecular forces acting on the system. It enables the study of biological systems...
5.
Hwang W, Austin S, Blondel A, Boittier E, Boresch S, Buck M, et al.
J Phys Chem B
. 2024 Sep;
128(41):9976-10042.
PMID: 39303207
Since its inception nearly a half century ago, CHARMM has been playing a central role in computational biochemistry and biophysics. Commensurate with the developments in experimental research and advances in...
6.
Bodosa J, Klauda J
J Phys Chem B
. 2024 Aug;
128(36):8712-8723.
PMID: 39197021
EmrE is a bacterial efflux protein in the small multidrug-resistant (SMR) family present in . Due to its small size, 110 residues in each dimer subunit, it is an ideal...
7.
Bodosa J, Pane A, Klauda J
Methods Enzymol
. 2024 Jul;
701:157-174.
PMID: 39025571
Molecular dynamics (MD) simulations are a useful tool when studying the properties of membranes as they allow for a molecular view of lipid interactions with proteins, nucleic acids, or small...
8.
Karmakar S, Klauda J
Biochim Biophys Acta Biomembr
. 2024 Jul;
1866(7):184365.
PMID: 38960299
Membrane contacts sites (MCSs) play important roles in lipid trafficking across cellular compartments and maintain the widespread structural diversity of organelles. We have utilized microsecond long all-atom (AA) molecular dynamics...
9.
Tammareddy T, Keyrouz W, Sriram R, Pant H, Cardone A, Klauda J
Biochemistry
. 2024 Jul;
63(14):1837-1857.
PMID: 38953497
Munc18-1 is an SM (sec1/munc-like) family protein involved in vesicle fusion and neuronal exocytosis. Munc18-1 is known to regulate the exocytosis process by binding with closed- and open-state conformations of...
10.
Lucker J, Kio M, Klauda J
J Phys Chem B
. 2024 Apr;
128(18):4428-4439.
PMID: 38688001
The inclusion of accurate yet computationally inexpensive lipid force fields (FF) is pertinent for the study of lipids and lipid-containing systems using molecular dynamics (MD). Within the past decade, the...