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Vázquez-Montelongo, Erik Antonio
28  results:
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1

Unleashing the Potential of 1,3-Diketone Analogues as Selec..:

Lee, Juhoon ; Guo, Hou-fu ; Wang, Shike...
ACS Medicinal Chemistry Letters.  14 (2023)  10 - p. 1396-1403 , 2023
Link: https://doi.org/10.1021/..
 
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2

Computational Investigation of a Series of Small Molecules ..:

Maghsoud, Yazdan ; Vázquez-Montelongo, Erik Antonio ; Yang, Xudong...
Journal of Chemical Information and Modeling.  63 (2023)  3 - p. 986-1001 , 2023
Link: https://doi.org/10.1021/..
 
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3

Unleashing the Potential of 1,3-Diketone Analogues as Selec..:

Lee, Juhoon ; Guo, Hou-fu ; Wang, Shike...
ACS Medicinal Chemistry Letters.  14 (2023)  10 - p. 1396-1403 , 2023
Link: https://doi.org/10.1021/..
 
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4

GPU-Accelerated All-Atom Particle-Mesh Ewald Continuous Con..:

Harris, Julie A. ; Liu, Ruibin ; Martins de Oliveira, Vinicius...
Journal of Chemical Theory and Computation.  18 (2022)  12 - p. 7510-7527 , 2022
Link: https://doi.org/10.1021/..
 
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5

Computational investigations of selected enzymes from two i..:

Berger, Madison B. ; Walker, Alice R. ; Vázquez-Montelongo, Erik Antonio.
Physical Chemistry Chemical Physics.  23 (2021)  39 - p. 22227-22240 , 2021
Link: https://doi.org/10.1039/..
 
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6

Current Status of AMOEBA–IL: A Multipolar/Polarizable Force..:

Vázquez-Montelongo, Erik Antonio ; Vázquez-Cervantes, José Enrique ; Cisneros, G. Andrés
International Journal of Molecular Sciences.  21 (2020)  3 - p. 697 , 2020
Link: https://doi.org/10.3390/..
 
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7

Current Status of AMOEBA–IL: A Multipolar/Polarizable Force..:

Vázquez-Montelongo, Erik Antonio ; Vázquez-Cervantes, José Enrique ; Cisneros, G. Andrés
International Journal of Molecular Sciences.  21 (2020)  3 - p. 697 , 2020
Link: https://doi.org/10.3390/..
 
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8

LICHEM 1.1: Recent Improvements and New Capabilities:

Gökcan, Hatice ; Vázquez-Montelongo, Erik Antonio ; Cisneros, G. Andrés
Journal of Chemical Theory and Computation.  15 (2019)  5 - p. 3056-3065 , 2019
Link: https://doi.org/10.1021/..
 
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9

Polarizable ab initio QM/MM Study of the Reaction Mechanism..:

Vázquez-Montelongo, Erik Antonio ; Vázquez-Cervantes, José Enrique ; Cisneros, G. Andrés
Molecules.  23 (2018)  11 - p. 2830 , 2018
Link: https://doi.org/10.3390/..
 
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10

Polarizable ab initio QM/MM Study of the Reaction Mechanism..:

Vázquez-Montelongo, Erik Antonio ; Vázquez-Cervantes, José Enrique ; Cisneros, G. Andrés
Molecules.  23 (2018)  11 - p. 2830 , 2018
Link: https://doi.org/10.3390/..
 
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11

GPU-Accelerated All-atom Particle-Mesh Ewald Continuous Con..:

Harris, Julie A ; Liu, Ruibin ; de Oliveira, Vinicius Martins...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10130738/.  , 2022
Link: http://www.ncbi.nlm.nih...
 
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12

Computational Investigations of Selected Enzymes From Two I..:

Berger, Madison B ; Walker, Alice R ; Vázquez-Montelongo, Erik Antonio.
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8516722/.  , 2021
Link: http://www.ncbi.nlm.nih...
 
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13

Current Status of AMOEBA–IL: A Multipolar/Polarizable Force..:

Vázquez-Montelongo, Erik Antonio ; Vázquez-Cervantes, José Enrique ; Cisneros, G. Andrés
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7037047/.  , 2020
Link: http://www.ncbi.nlm.nih...
 
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14

LICHEM 1.1: Recent Improvements and New Capabilities:

Gökcan, Hatice ; Vázquez-Montelongo, Erik Antonio ; Cisneros, G. Andrés
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6526954/.  , 2019
Link: http://www.ncbi.nlm.nih...
 
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15

Polarizable ab initio QM/MM Study of the Reaction Mechanism..:

Vázquez-Montelongo, Erik Antonio ; Vázquez-Cervantes, José Enrique ; Cisneros, G. Andrés
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6278528/.  , 2018
Link: http://www.ncbi.nlm.nih...
 
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