Prioritizing virtual screening with interpretable interaction fingerprints

AV Fassio, L Shub, L Ponzoni, J McKinley… - Journal of Chemical …, 2022 - ACS Publications
Machine learning-based drug discovery success depends on molecular representation. Yet
traditional molecular fingerprints omit both the protein and pointers back to structural …

[图书][B] Influenza M2 Generates Negative Gaussian Curvature through Lipid Tilt Anisotropy; Advances in Zebrafish Chemobehavioral Phenomics Reveal Novel …

C Helsell - 2022 - search.proquest.com
The twin subjects of this dissertation may seem far flung, but they are unified by a common
purpose. I like stories that start with molecules and end with things everyone has directly …

Identification of compounds producing non-visual photosensation via TRPA1 in zebrafish

D Cheng, MN McCarroll, JC Taylor, T Wu, D Kokel - BioRxiv, 2020 - biorxiv.org
ABSTRACT TRPA1 receptors sense chemical irritants, but they do not normally respond to
light. Previous studies have identified compounds that confer photosensitivity onto …

[图书][B] Identification of novel light-activated chemical tools for the study of TRPA1-mediated non-visual photosensation

DC Cheng - 2020 - search.proquest.com
Over the past decade, the transient receptor potential ankyrin 1 (TRPA1) receptor has been
extensively studied because of its wide distribution across the human body and its roles in …