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Methods in Enzymology
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July 3, 2026
Molecular dynamics simulations of mucins
Fiona L Kearns
Journal of Chemical Information and Modeling
|
September 27, 2024
Breaking Down the Bottlebrush: Atomically Detailed Structural Dynamics of Mucins
Fiona L Kearns, Mia A Rosenfeld, Rommie E Amaro
Molecules (Basel, Switzerland)
|
February 17, 2019
The Good, the Bad, and the Ugly: "HiPen", a New Dataset for Validating (S)QM/MM Free Energy Simulations
Fiona L Kearns, Luke Warrensford, Stefan Boresch, et al.
Journal of Computational Chemistry
|
March 9, 2017
Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities
Fiona L Kearns, Phillip S Hudson, Henry L Woodcock, et al.
Journal of Molecular Graphics & Modelling
|
November 29, 2016
Elucidating a chemical defense mechanism of Antarctic sponges: A computational study
Sai Lakshmana Vankayala, Fiona L Kearns, Bill J Baker, et al.
Biochimica Et Biophysica Acta
|
September 21, 2014
Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes
Phillip S Hudson, Justin K White, Fiona L Kearns, et al.
Cell Reports. Physical Science
|
April 20, 2023
SARS-CoV-2 evolved variants optimize binding to cellular glycocalyx
Sang Hoon Kim, Fiona L Kearns, Mia A Rosenfeld, et al.
ACS Central Science
|
February 2, 2022
<i>GlycoGrip</i>: Cell Surface-Inspired Universal Sensor for Betacoronaviruses
Sang Hoon Kim, Fiona L Kearns, Mia A Rosenfeld, et al.
Journal of Computational Chemistry
|
November 6, 2021
CIFDock: A novel CHARMM-based flexible receptor-flexible ligand docking protocol
Sai L Vankayala, Luke C Warrensford, Amanda R Pittman, et al.
Journal of Chemical Information and Modeling
|
March 26, 2019
Modeling Boronic Acid Based Fluorescent Saccharide Sensors: Computational Investigation of d-Fructose Binding to Dimethylaminomethylphenylboronic Acid
Fiona L Kearns, Carrie Robart, M Trent Kemp, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 34) with videos related to
Sort By:
Page
of 4
Methods in Enzymology
|
July 3, 2026
Molecular dynamics simulations of mucins
Fiona L Kearns
Journal of Chemical Information and Modeling
|
September 27, 2024
Breaking Down the Bottlebrush: Atomically Detailed Structural Dynamics of Mucins
Fiona L Kearns, Mia A Rosenfeld, Rommie E Amaro
Molecules (Basel, Switzerland)
|
February 17, 2019
The Good, the Bad, and the Ugly: "HiPen", a New Dataset for Validating (S)QM/MM Free Energy Simulations
Fiona L Kearns, Luke Warrensford, Stefan Boresch, et al.
Journal of Computational Chemistry
|
March 9, 2017
Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities
Fiona L Kearns, Phillip S Hudson, Henry L Woodcock, et al.
Journal of Molecular Graphics & Modelling
|
November 29, 2016
Elucidating a chemical defense mechanism of Antarctic sponges: A computational study
Sai Lakshmana Vankayala, Fiona L Kearns, Bill J Baker, et al.
Biochimica Et Biophysica Acta
|
September 21, 2014
Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes
Phillip S Hudson, Justin K White, Fiona L Kearns, et al.
Cell Reports. Physical Science
|
April 20, 2023
SARS-CoV-2 evolved variants optimize binding to cellular glycocalyx
Sang Hoon Kim, Fiona L Kearns, Mia A Rosenfeld, et al.
ACS Central Science
|
February 2, 2022
<i>GlycoGrip</i>: Cell Surface-Inspired Universal Sensor for Betacoronaviruses
Sang Hoon Kim, Fiona L Kearns, Mia A Rosenfeld, et al.
Journal of Computational Chemistry
|
November 6, 2021
CIFDock: A novel CHARMM-based flexible receptor-flexible ligand docking protocol
Sai L Vankayala, Luke C Warrensford, Amanda R Pittman, et al.
Journal of Chemical Information and Modeling
|
March 26, 2019
Modeling Boronic Acid Based Fluorescent Saccharide Sensors: Computational Investigation of d-Fructose Binding to Dimethylaminomethylphenylboronic Acid
Fiona L Kearns, Carrie Robart, M Trent Kemp, et al.
Page
of 4