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Bogetti, Anthony T
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Online (49)
Mediatypes
Articles (Online) (32)
OpenAccess-fulltext (17)
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1
Revisiting Textbook Azide-Clock Reactions: A "Propeller-Cra..:
Bogetti, Anthony T.
;
Zwier, Matthew C.
;
Chong, Lillian T.
Journal of the American Chemical Society. 146 (2024) 18 - p. 12828-12835 , 2024
Link:
https://doi.org/10.1021/..
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2
LPATH: A Semiautomated Python Tool for Clustering Molecular..:
Bogetti, Anthony T.
;
Leung, Jeremy M. G.
;
Chong, Lillian T.
Journal of Chemical Information and Modeling. 63 (2023) 24 - p. 7610-7616 , 2023
Link:
https://doi.org/10.1021/..
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3
Lessons learned through weighted ensemble simulations of a ..:
Bogetti, Anthony T.
Biophysical Journal. 122 (2023) 3 - p. 143a , 2023
Link:
https://doi.org/10.1016/..
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4
Mechanistic Insights into Passive Membrane Permeability of ..:
Zhang, She
;
Thompson, Jeff P.
;
Xia, Junchao
...
Journal of Chemical Information and Modeling. 62 (2022) 8 - p. 1891-1904 , 2022
Link:
https://doi.org/10.1021/..
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5
WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble..:
Russo, John D.
;
Zhang, She
;
Leung, Jeremy M. G.
...
Journal of Chemical Theory and Computation. 18 (2022) 2 - p. 638-649 , 2022
Link:
https://doi.org/10.1021/..
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6
A Minimal, Adaptive Binning Scheme for Weighted Ensemble Si..:
Torrillo, Paul A.
;
Bogetti, Anthony T.
;
Chong, Lillian T.
The Journal of Physical Chemistry A. 125 (2021) 7 - p. 1642-1649 , 2021
Link:
https://doi.org/10.1021/..
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7
A glycan gate controls opening of the SARS-CoV-2 spike prot..:
Sztain, Terra
;
Ahn, Surl-Hee
;
Bogetti, Anthony T.
...
Nature Chemistry. 13 (2021) 10 - p. 963-968 , 2021
Link:
https://doi.org/10.1038/..
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8
AI-driven multiscale simulations illuminate mechanisms of S..:
Casalino, Lorenzo
;
Dommer, Abigail C
;
Gaieb, Zied
...
The International Journal of High Performance Computing Applications. 35 (2021) 5 - p. 432-451 , 2021
Link:
https://doi.org/10.1177/..
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9
The Next Frontier for Designing Switchable Proteins: Ration..:
Bogetti, Anthony T.
;
Presti, Maria F.
;
Loh, Stewart N.
.
The Journal of Physical Chemistry B. 125 (2021) 32 - p. 9069-9077 , 2021
Link:
https://doi.org/10.1021/..
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10
The RED scheme: Rate-constant estimation from pre-steady st..:
DeGrave, Alex J.
;
Bogetti, Anthony T.
;
Chong, Lillian T.
The Journal of Chemical Physics. 154 (2021) 11 - p. , 2021
Link:
https://doi.org/10.1063/..
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11
A twist in the road less traveled: The AMBER ff15ipq-m forc..:
Bogetti, Anthony T.
;
Piston, Hannah E.
;
Leung, Jeremy M. G.
...
The Journal of Chemical Physics. 153 (2020) 6 - p. , 2020
Link:
https://doi.org/10.1063/..
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12
LPATH: A Semiautomated Python Tool for Clustering Molecular..:
Bogetti, Anthony T
;
Leung, Jeremy M. G
;
Chong, Lillian T
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10751797/. , 2023
Link:
http://www.ncbi.nlm.nih...
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13
A Suite of Tutorials for the WESTPA 2.0 Rare-Events Samplin..:
Bogetti, Anthony T
;
Leung, Jeremy M. G
;
Russo, John D
...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10191340/. , 2023
Link:
http://www.ncbi.nlm.nih...
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14
LPATH: A semi-automated Python tool for clustering molecula..:
Bogetti, Anthony T
;
Leung, Jeremy M. G
;
Chong, Lillian T
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10462149/. , 2023
Link:
http://www.ncbi.nlm.nih...
?
15
A Suite of Tutorials for the WESTPA 2.0 Rare-Events Samplin..:
Bogetti, Anthony T
;
Leung, Jeremy M. G
;
Russo, John D
...
https://livecomsjournal.org/index.php/livecoms/article/view/v5i1e1655/1577. , 2023
Link:
https://livecomsjournal...
1-15