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Bogetti, Anthony T.
49  Ergebnisse:
Personensuche X
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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

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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3

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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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 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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7

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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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

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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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...
 
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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...
 
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