W F Drew Bennett
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Explore the profile of W F Drew Bennett including associated specialties, affiliations and a list of published articles.
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40
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1799
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Recent Articles
1.
Bennett W, Bernardi A, Ozturk T, Ingolfsson H, Fox S, Sun D, et al.
Molecules
. 2024 Aug;
29(15).
PMID: 39124960
Soft condensed matter is challenging to study due to the vast time and length scales that are necessary to accurately represent complex systems and capture their underlying physics. Multiscale simulations...
2.
Bernardi A, Bennett W, He S, Jones D, Kirshner D, Bennion B, et al.
Membranes (Basel)
. 2023 Nov;
13(11).
PMID: 37999336
Passive permeation of cellular membranes is a key feature of many therapeutics. The relevance of passive permeability spans all biological systems as they all employ biomembranes for compartmentalization. A variety...
3.
Stevenson G, Kirshner D, Bennion B, Yang Y, Zhang X, Zemla A, et al.
J Chem Inf Model
. 2023 Oct;
63(21):6655-6666.
PMID: 37847557
Protein-ligand interactions are essential to drug discovery and drug development efforts. Desirable on-target or multitarget interactions are the first step in finding an effective therapeutic, while undesirable off-target interactions are...
4.
Bennett W, Fox S, Sun D, Maupin C
Membranes (Basel)
. 2022 Apr;
12(4).
PMID: 35448320
Characterizing the biophysical properties of bacterial membranes is critical for understanding the protective nature of the microbial envelope, interaction of biological membranes with exogenous materials, and designing new antibacterial agents....
5.
Lau E, Negrete O, Bennett W, Bennion B, Borucki M, Bourguet F, et al.
Front Mol Biosci
. 2021 Jul;
8:678701.
PMID: 34327214
A rapid response is necessary to contain emergent biological outbreaks before they can become pandemics. The novel coronavirus (SARS-CoV-2) that causes COVID-19 was first reported in December of 2019 in...
6.
Jones D, Kim H, Zhang X, Zemla A, Stevenson G, Bennett W, et al.
J Chem Inf Model
. 2021 Mar;
61(4):1583-1592.
PMID: 33754707
Predicting accurate protein-ligand binding affinities is an important task in drug discovery but remains a challenge even with computationally expensive biophysics-based energy scoring methods and state-of-the-art deep learning approaches. Despite...
7.
Curvature Energetics Determined by Alchemical Simulation on Four Topologically Distinct Lipid Phases
Beaven A, Arnarez C, Lyman E, Bennett W, Sodt A
J Phys Chem B
. 2021 Feb;
125(7):1815-1824.
PMID: 33570958
The relative curvature energetics of two lipids are tested using thermodynamic integration (TI) on four topologically distinct lipid phases. Simulations use TI to switch between choline headgroup lipids (POPC; that...
8.
Sun D, He S, Bennett W, Bilodeau C, Andersen O, Lightstone F, et al.
J Chem Theory Comput
. 2020 Dec;
17(1):7-12.
PMID: 33378617
We investigated gramicidin A (gA) subunit dimerization in lipid bilayers using microsecond-long replica-exchange umbrella sampling simulations, millisecond-long unbiased molecular dynamics simulations, and machine learning. Our simulations led to a dimer...
9.
Sun D, Peyear T, Bennett W, Holcomb M, He S, Zhu F, et al.
J Med Chem
. 2020 Sep;
63(20):11809-11818.
PMID: 32945672
Partitioning of bioactive molecules, including drugs, into cell membranes may produce indiscriminate changes in membrane protein function. As a guide to safe drug development, it therefore becomes important to be...
10.
Blumer M, Harris S, Li M, Martinez L, Untereiner M, Saeta P, et al.
Front Cell Dev Biol
. 2020 Aug;
8:575.
PMID: 32850783
Biological membranes are composed of lipid bilayers that are often asymmetric with regards to the lipid composition and/or aqueous solvent they separate. Studying lipid asymmetry both experimentally and computationally is...