Partitioning of Amino Acid Side Chains into Lipid Bilayers: Results from Computer Simulations and Comparison to Experiment

por MacCallum, Justin L., Bennett, W.F. Drew, Tieleman, D. Peter
Publicado 2007

Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery

por Bernardi, Austen, Bennett, W. F. Drew, He, Stewart, Jones, Derek, Kirshner, Dan, Bennion, Brian J., Carpenter, Timothy S.
Publicado 2023

Molecular Mechanism for Gramicidin Dimerization and Dissociation in Bilayers of Different Thickness

por Sun, Delin, Peyear, Thasin A., Bennett, W. F. Drew, Andersen, Olaf S., Lightstone, Felice C., Ingólfsson, Helgi I.
Publicado 2019

Atomistic Characterization of Gramicidin Channel Formation

por Sun, Delin, He, Stewart, Bennett, W. F. Drew, Bilodeau, Camille L., Andersen, Olaf S., Lightstone, Felice C., Ingólfsson, Helgi I.
Publicado 2020

Simulations of Asymmetric Membranes Illustrate Cooperative Leaflet Coupling and Lipid Adaptability

por Blumer, Madison, Harris, Sophia, Li, Mengzhe, Martinez, Luis, Untereiner, Michael, Saeta, Peter N., Carpenter, Timothy S., Ingólfsson, Helgi I., Bennett, W. F. Drew
Publicado 2020

Assessing the Perturbing Effects of Drugs on Lipid Bilayers Using Gramicidin Channel-Based In Silico and In Vitro Assays

por Sun, Delin, Peyear, Thasin A., Bennett, W. F. Drew, Holcomb, Matthew, He, Stewart, Zhu, Fangqiang, Lightstone, Felice C., Andersen, Olaf S., Ingólfsson, Helgi I.
Publicado 2020

Capturing Biologically Complex Tissue-Specific Membranes at Different Levels of Compositional Complexity

por Ingólfsson, Helgi I., Bhatia, Harsh, Zeppelin, Talia, Bennett, W. F. Drew, Carpenter, Kristy A., Hsu, Pin-Chia, Dharuman, Gautham, Bremer, Peer-Timo, Schiøtt, Birgit, Lightstone, Felice C., Carpenter, Timothy S.
Publicado 2020

Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method

por Stevenson, Garrett A., Kirshner, Dan, Bennion, Brian J., Yang, Yue, Zhang, Xiaohua, Zemla, Adam, Torres, Marisa W., Epstein, Aidan, Jones, Derek, Kim, Hyojin, Bennett, W. F. Drew, Wong, Sergio E., Allen, Jonathan E., Lightstone, Felice C.
Publicado 2023

Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline

por Lau, Edmond Y., Negrete, Oscar A., Bennett, W. F. Drew, Bennion, Brian J., Borucki, Monica, Bourguet, Feliza, Epstein, Aidan, Franco, Magdalena, Harmon, Brooke, He, Stewart, Jones, Derek, Kim, Hyojin, Kirshner, Daniel, Lao, Victoria, Lo, Jacky, McLoughlin, Kevin, Mosesso, Richard, Murugesh, Deepa K., Saada, Edwin A., Segelke, Brent, Stefan, Maxwell A., Stevenson, Garrett A., Torres, Marisa W., Weilhammer, Dina R., Wong, Sergio, Yang, Yue, Zemla, Adam, Zhang, Xiaohua, Zhu, Fangqiang, Allen, Jonathan E., Lightstone, Felice C.
Publicado 2021