Author

K. A. McKiernan

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 3

Signature Assays, Organisms & Methods

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Research Focus:protein folding & dynamics· 3 Approach:statistical model· 2 Assay:structural biology· 2 Approach:biophysical modeling· 1 Approach:deep learning· 1 Organism:human· 1 Assay:protein structure· 1

Frequent Co-Authors

V. S. Pande· 3 shared A. K. Koster· 1 shared B. E. Husic· 1 shared M. Maduke· 1 shared M. P. Harrigan· 1 shared R. A. Denny· 1 shared V. Shanmugasundaram· 1 shared

Activity by Year

2016-2019 · peak 1/yr

Co-Author Collaboration Network

7 top collaborators · 10 mutual co-author links

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3 shared papersBiophysics

V. S. Pande

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3 papers

Recent·Most cited

Dynamical model of the CLC-2 ion channel reveals conformational changes associated with selectivity-filter gating

K. A. McKiernan, A. K. Koster, M. Maduke, V. S. Pande

This paper uses molecular dynamics simulations to model CLC-2 ion channel conformational changes, revealing how GLUex protonation affects gate opening and selectivity-filter gating.

bioRxiv · Dec 1, 2019Biophysics

Modeling the Mechanism of CLN025Beta-Hairpin Formation

K. A. McKiernan, B. E. Husic, V. S. Pande

The paper simulates CLN025 beta-hairpin folding using force fields to analyze thermodynamics, kinetics, and mechanism, finding hydrogen bond formation in the turn region is rate-limiting.

bioRxiv · Aug 25, 2017Biophysics

Markov modeling reveals novel intracellular modulation of the human TREK-2 selectivity filter

M. P. Harrigan, K. A. McKiernan, V. Shanmugasundaram, R. A. Denny, V. S. Pande

The paper uses molecular dynamics simulations and Markov modeling to show that membrane stretch induces a novel 'pinched' state in the TREK-2 channel's selectivity filter, impairing ion conduction.

bioRxiv · Dec 7, 2016Biophysics