Andrew Leaver-Fay
Overview
Explore the profile of Andrew Leaver-Fay including associated specialties, affiliations and a list of published articles.
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29
Citations
6045
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Recent Articles
1.
Thieker D, Maguire J, Kudlacek S, Leaver-Fay A, Lyskov S, Kuhlman B
Protein Sci
. 2022 Sep;
31(10):e4428.
PMID: 36173174
Many proteins have low thermodynamic stability, which can lead to low expression yields and limit functionality in research, industrial and clinical settings. This article introduces two, web-based tools that use...
2.
Alford R, Leaver-Fay A, Jeliazkov J, OMeara M, DiMaio F, Park H, et al.
J Chem Theory Comput
. 2022 Jun;
18(7):4594.
PMID: 35667008
No abstract available.
3.
Le K, Adolf-Bryfogle J, Klima J, Lyskov S, Labonte J, Bertolani S, et al.
Biophysicist (Rockv)
. 2022 Feb;
2(1):108-122.
PMID: 35128343
Biomolecular structure drives function, and computational capabilities have progressed such that the prediction and computational design of biomolecular structures is increasingly feasible. Because computational biophysics attracts students from many different...
4.
Albanese K, Leaver-Fay A, Treacy J, Park R, Houk K, Kuhlman B, et al.
J Am Chem Soc
. 2022 Feb;
144(6):2535-2545.
PMID: 35108000
We report the measurement and analysis of sulfonium-π, thioether-π, and ammonium-π interactions in a β-hairpin peptide model system, coupled with computational investigation and PDB analysis. These studies indicated that the...
5.
Leman J, Lyskov S, Lewis S, Adolf-Bryfogle J, Alford R, Barlow K, et al.
Nat Commun
. 2021 Nov;
12(1):6947.
PMID: 34845212
Each year vast international resources are wasted on irreproducible research. The scientific community has been slow to adopt standard software engineering practices, despite the increases in high-dimensional data, complexities of...
6.
Leman J, Weitzner B, Lewis S, Adolf-Bryfogle J, Alam N, Alford R, et al.
Nat Methods
. 2020 Jun;
17(7):665-680.
PMID: 32483333
The Rosetta software for macromolecular modeling, docking and design is extensively used in laboratories worldwide. During two decades of development by a community of laboratories at more than 60 institutions,...
7.
Leman J, Weitzner B, Renfrew P, Lewis S, Moretti R, Watkins A, et al.
PLoS Comput Biol
. 2020 May;
16(5):e1007507.
PMID: 32365137
Many scientific disciplines rely on computational methods for data analysis, model generation, and prediction. Implementing these methods is often accomplished by researchers with domain expertise but without formal training in...
8.
Alford R, Leaver-Fay A, Gonzales L, Dolan E, Gray J
PLoS Comput Biol
. 2017 Dec;
13(12):e1005837.
PMID: 29216185
Computational biology is an interdisciplinary field, and many computational biology research projects involve distributed teams of scientists. To accomplish their work, these teams must overcome both disciplinary and geographic barriers....
9.
Kleffner R, Flatten J, Leaver-Fay A, Baker D, Siegel J, Khatib F, et al.
Bioinformatics
. 2017 May;
33(17):2765-2767.
PMID: 28481970
Summary: Foldit Standalone is an interactive graphical interface to the Rosetta molecular modeling package. In contrast to most command-line or batch interactions with Rosetta, Foldit Standalone is designed to allow...
10.
Alford R, Leaver-Fay A, Jeliazkov J, OMeara M, DiMaio F, Park H, et al.
J Chem Theory Comput
. 2017 Apr;
13(6):3031-3048.
PMID: 28430426
Over the past decade, the Rosetta biomolecular modeling suite has informed diverse biological questions and engineering challenges ranging from interpretation of low-resolution structural data to design of nanomaterials, protein therapeutics,...