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Fiona L Kearns

Showing results (1-10 of 34) with videos related to

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Methods in Enzymology|July 3, 2026
Molecular dynamics simulations of mucinsFiona L Kearns
Journal of Chemical Information and Modeling|September 27, 2024
Breaking Down the Bottlebrush: Atomically Detailed Structural Dynamics of MucinsFiona 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 SimulationsFiona 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 opportunitiesFiona 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 studySai 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 schemesPhillip 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 glycocalyxSang 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 BetacoronavirusesSang 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 protocolSai 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 AcidFiona L Kearns, Carrie Robart, M Trent Kemp, et al.
Pageof 4

Showing results (1-10 of 34) with videos related to

Sort By:
Pageof 4
Methods in Enzymology|July 3, 2026
Molecular dynamics simulations of mucinsFiona L Kearns
Journal of Chemical Information and Modeling|September 27, 2024
Breaking Down the Bottlebrush: Atomically Detailed Structural Dynamics of MucinsFiona 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 SimulationsFiona 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 opportunitiesFiona 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 studySai 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 schemesPhillip 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 glycocalyxSang 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 BetacoronavirusesSang 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 protocolSai 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 AcidFiona L Kearns, Carrie Robart, M Trent Kemp, et al.
Pageof 4