Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Clare McCabe

18PUBLICATIONS
35CO-AUTHORS
Computational chemistrySurface properties of condensed matterComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Supramolecular chemistryNeural networks
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (18)

Sort by Publication Date:
|Apr 06, 2026
Quantum Chemical Topology Analysis of Covalent Interactions in the Hydration of F<sup>-</sup> along with the Zinc Finger of NPL4 and Its Application to the Delimitation of QM/MM Boundaries.

Cristian E Bahena-Méndez, Humberto Saint-Martin, Clare McCabe

|Nov 13, 2025
New Coarse-Grained Models for Stratum Corneum Ceramides Reveal Headgroup-Dependent Structural Organization.

Chloe O Frame, Parashara Shamaprasad, Shubham Deshpande

|Oct 10, 2025
On the choice of acceleration amplitude for predicting shear viscosity using the periodic perturbation method.

Lingfeng Gui, Evangelos Tsochantaris, Kieran Nehil-Puleo

|Sep 05, 2025
Evaluating the Structural Response of Amphiphilic Monolayers to Environmental Stimuli.

Allison V Cordova-Huaman, Nicholas C Craven, Marea J Blake

|Jun 18, 2025
Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF).

Nicholas C Craven, Ramanish Singh, Co D Quach

|Jun 25, 2024
The Sphingosine and Phytosphingosine Ceramide Ratio in Lipid Models Forming the Short Periodicity Phase: An Experimental and Molecular Simulation Study.

Andreea Nădăban, Chloe O Frame, Dounia El Yachioui

Pageof 3

Frequent Collaborators

7 joint publications

Christopher R Iacovella

4 joint publications

Andrew Z Summers

3 joint publications

Annette L Bunge

2 joint publications

Peter T Cummings

2 joint publications

Remco Hartkamp

2 joint publications

Co D Quach

2 joint publications

Parashara Shamaprasad

2 joint publications

Brad Crawford

2 joint publications

Jeffrey J Potoff

2 joint publications

Nicholas C Craven

Frequent Collaborators

7 joint publications

Christopher R Iacovella

4 joint publications

Andrew Z Summers

3 joint publications

Annette L Bunge

2 joint publications

Peter T Cummings

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

8.8K
Resolving Water, Proteins, and Lipids from In Vivo Confocal Raman Spectra of Stratum Corneum through a Chemometric Approach
09:32

Resolving Water, Proteins, and Lipids from In Vivo Confocal Raman Spectra of Stratum Corneum through a Chemometric Approach

Published on : Sep 26, 2019

7.6K
Studying Large Amplitude Oscillatory Shear Response of Soft Materials
06:07

Studying Large Amplitude Oscillatory Shear Response of Soft Materials

Published on : Apr 25, 2019

13.5K
See more related videos

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

8.8K
Resolving Water, Proteins, and Lipids from In Vivo Confocal Raman Spectra of Stratum Corneum through a Chemometric Approach
09:32

Resolving Water, Proteins, and Lipids from In Vivo Confocal Raman Spectra of Stratum Corneum through a Chemometric Approach

Published on : Sep 26, 2019

7.6K
Studying Large Amplitude Oscillatory Shear Response of Soft Materials
06:07

Studying Large Amplitude Oscillatory Shear Response of Soft Materials

Published on : Apr 25, 2019

13.5K
See more related videos