William F. Bennett - Publications, H-index & Citations

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William F. Bennett

Lawrence Livermore National Laboratory

68H-index

264Paper Count

1.5WCitation Count

Published Papers 56

Publication Date

ezAlign: A Tool for Converting Coarse-Grained Molecular Dynamics Structures to Atomistic Resolution for Multiscale Modeling

MOLECULES

IF4.6

2024-07-28

OAAI

Bennett, W. F. Drew; Bernardi, Austen; Ozturk, Tugba Nur; Ingolfsson, Helgi I.; Fox, Stephen J.; Sun, Delin; Maupin, C. Mark

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Enhancing Docking Accuracy with PECAN2, a 3D Atomic Neural Network Trained without Co-Complex Crystal Structures

MACHINE LEARNING AND KNOWLEDGE EXTRACTION

IF6

2024-03-11

OAAI

Shim, Heesung; Allen, Jonathan E.; Bennett, W. F. Drew

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Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery

MEMBRANES

IF3.6

2023-10-25

OAAI

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

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

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-10-17

OAAI

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.

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Large-scale application of free energy perturbation calculations for antibody design

SCIENTIFIC REPORTS

IF3.9

2022-07-21

OAAI

Zhu, Fangqiang; Bourguet, Feliza A.; Bennett, William F. D.; Lau, Edmond Y.; Arrildt, Kathryn T.; Segelke, Brent W.; Zemla, Adam T.; Desautels, Thomas A.; Faissol, Daniel M.

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Accelerators for Classical Molecular Dynamics Simulations of Biomolecules

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-06-16

OAAI

Jones, Derek; Allen, Jonathan E.; Yang, Yue; Bennett, William F. Drew; Gokhale, Maya; Moshiri, Niema; Rosing, Tajana S.

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Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules

MEMBRANES

IF3.6

2022-03-22

OAAI

Bennett, W. F. Drew; Fox, Stephen J.; Sun, Delin; Maupin, C. Mark

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

FRONTIERS IN MOLECULAR BIOSCIENCES

IF4

2021-07-09

OAAI

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.

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Atomistic Characterization of Gramicidin Channel Formation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-12-30

OAAI

Sun, Delin; He, Stewart; Bennett, W. F. Drew; Bilodeau, Camille L.; Andersen, Olaf S.; Lightstone, Felice C.; Ingolfsson, Helgi I.

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

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2020-09-18

OAAI

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

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Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-08-14

OAAI

Bennett, W. F. Drew; He, Stewart; Bilodeau, Camille L.; Jones, Derek; Sun, Delin; Kim, Hyojin; Allen, Jonathan E.; Lightstone, Felice C.; Ingolfsson, Helgi I.

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

BIOPHYSICAL JOURNAL

IF3.1

2019-11-01

OAAI

Sun, Delin; Peyear, Thasin A.; Bennett, W. F. Drew; Andersen, Olaf S.; Lightstone, Felice C.; Ingolfsson, Helgi I.

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Interfacial and Hydrophobicity Scales for Small Drug-Like Molecules from Atomistic Free Energy Calculations

BIOPHYSICAL JOURNAL

IF3.1

2019-02-01

OAAI

Bennett, W. F. Drew; He, Stewart; Ingolfsson, Helgi

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Phospholipid Chain Interactions with Cholesterol Drive Domain Formation in Lipid Membranes

BIOPHYSICAL JOURNAL

IF3.1

2018-06-01

OAAI

Bennett, W. F. Drew; Shea, Joan-Emma; Tieleman, D. Peter

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Simulating T Cell Receptor Evolution: Sequence-Structure-Dynamics-Function Relationships

BIOPHYSICAL JOURNAL

IF3.1

2018-03-01

OAAI

Bennett, W. F. Drew

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Surfactant pKa Calculations using Molecular Dynamics Simulations

BIOPHYSICAL JOURNAL

IF3.1

2017-02-01

OAAI

Bennett, W. F. Drew; Shea, Joan-Emma; Brown, Frank L.

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Antimicrobial Peptide Simulations and the Influence of Force Field on the Free Energy for Pore Formation in Lipid Bilayers

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2016-08-30

OAAI

Bennett, W. F. Drew; Hong, Chun Kit; Wang, Yi; Tieleman, D. Peter

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Folding and insertion thermodynamics of the transmembrane WALP peptide

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-11-13

OAAI

Bereau, Tristan; Bennett, W. F. Drew; Pfaendtner, Jim; Deserno, Markus; Karttunen, Mikko

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Design and Characterization of a Multifunctional pH-Triggered Peptide C8 for Selective Anticancer Activity

ADVANCED HEALTHCARE MATERIALS

IF9.6

2015-10-16

OAAI

Lu, Sheng; Bennett, W. F. Drew; Ding, Yong; Zhang, Lei; Fan, Helen Y.; Zhao, Danyang; Zheng, Tao; Ouyang, Ping-Kai; Li, Jason; Wu, Yan; Xu, Wen; Chu, Dafeng; Yuan, Yongfang; Heerklotz, Heiko; Karttunen, Mikko; Chen, P.

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Oleic Acid Phase Behavior from Molecular Dynamics Simulations

LANGMUIR

IF3.9

2014-08-22

PREAI

Janke, J. Joel; Bennett, W. F. Drew; Tieleman, D. Peter

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Research Directions