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Izaguirre, Jesus A.
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1

Molecular Latent Space Simulators for Distributed and Multi..:

Jones, Michael S. ; McDargh, Zachary A. ; Wiewiora, Rafal P....
The Journal of Physical Chemistry A.  127 (2023)  25 - p. 5470-5490 , 2023
Link: https://doi.org/10.1021/..
 
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2

Targeted Protein Degradation: Advances, Challenges, and Pro..:

Mostofian, Barmak ; Martin, Holli-Joi ; Razavi, Asghar...
Journal of Chemical Information and Modeling.  63 (2023)  17 - p. 5408-5432 , 2023
Link: https://doi.org/10.1021/..
 
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3

A Conserved Local Structural Motif Controls the Kinetics of..:

Yeh, Christine Y. ; Izaguirre, Jesus A. ; Greisman, Jack B....
Journal of Chemical Information and Modeling.  63 (2023)  13 - p. 4115-4124 , 2023
Link: https://doi.org/10.1021/..
 
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4

Modeling the Effect of Cooperativity in Ternary Complex For..:

Park, Daniel ; Izaguirre, Jesus ; Coffey, Rory.
ACS Bio & Med Chem Au.  3 (2022)  1 - p. 74-86 , 2022
Link: https://doi.org/10.1021/..
 
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5

Accelerated molecular dynamics simulations of the octopamin..:

Kastner, Kevin W. ; Izaguirre, Jesús A.
Proteins: Structure, Function, and Bioinformatics.  84 (2016)  10 - p. 1480-1489 , 2016
Link: https://doi.org/10.1002/..
 
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6

A comparison of weighted ensemble and Markov state model me..:

Feng, Haoyun ; Costaouec, Ronan ; Darve, Eric.
The Journal of Chemical Physics.  142 (2015)  21 - p. , 2015
Link: https://doi.org/10.1063/..
 
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7

Evaluation of conformational changes in diabetes‐associated..:

Kim, Yong Hwan ; Kastner, Kevin ; Abdul‐Wahid, Badi.
Proteins: Structure, Function, and Bioinformatics.  83 (2015)  4 - p. 662-669 , 2015
Link: https://doi.org/10.1002/..
 
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8

AWE-WQ: Fast-Forwarding Molecular Dynamics Using the Accele..:

Abdul-Wahid, Badi' ; Feng, Haoyun ; Rajan, Dinesh...
Journal of Chemical Information and Modeling.  54 (2014)  10 - p. 3033-3043 , 2014
Link: https://doi.org/10.1021/..
 
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9

Characterization of the Anopheles gambiae octopamine recept..:

Kastner, Kevin W ; Shoue, Douglas A ; Estiu, Guillermina L...
Malaria Journal.  13 (2014)  1 - p. , 2014
Link: https://doi.org/10.1186/..
 
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10

Case studies in designing elastic applications:

, In: Proceedings of the 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing,
Rajan, Dinesh ; Thrasher, Andrew ; Abdul-Wahid, Badi'... - p. 466-473 , 2013
Link: https://dl.acm.org/doi/1..
 
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11

Identification of novel arthropod vector G protein-coupled ..:

Nowling, Ronald J ; Abrudan, Jenica L ; Shoue, Douglas A...
Parasites & Vectors.  6 (2013)  1 - p. , 2013
Link: https://doi.org/10.1186/..
 
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12

Long Timestep Molecular Dynamics on the Graphical Processin..:

Sweet, James C. ; Nowling, Ronald J. ; Cickovski, Trevor...
Journal of Chemical Theory and Computation.  9 (2013)  8 - p. 3267-3281 , 2013
Link: https://doi.org/10.1021/..
 
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13

Modeling Conformational Ensembles of Slow Functional Motion..:

Morcos, Faruck ; Chatterjee, Santanu ; McClendon, Christopher L....
PLoS Computational Biology.  6 (2010)  12 - p. e1001015 , 2010
Link: https://doi.org/10.1371/..
 
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14

MDLab: A molecular dynamics simulation prototyping environm..:

Cickovski, Trevor ; Chatterjee, Santanu ; Wenger, Jacob..
Journal of Computational Chemistry.  31 (2009)  7 - p. 1345-1356 , 2009
Link: https://doi.org/10.1002/..
 
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15

A separable shadow Hamiltonian hybrid Monte Carlo method:

Sweet, Christopher R. ; Hampton, Scott S. ; Skeel, Robert D..
The Journal of Chemical Physics.  131 (2009)  17 - p. , 2009
Link: https://doi.org/10.1063/..
 
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