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1.
Kinetic Barrier to Enzyme Inhibition Is Manipulated by Dynamical Local Interactions in E. coli DHFR.
J Chem Inf Model
; 63(15): 4839-4849, 2023 08 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-37491825
2.
Oligomerization and cooperativity in GPCRs from the perspective of the angiotensin AT1 and dopamine D2 receptors.
Neurosci Lett
; 700: 30-37, 2019 05 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-29684528
3.
Application of Multiscale Simulation Tools on GPCRs. An Example with Angiotensin II Type 1 Receptor.
Methods Mol Biol
; 1824: 431-448, 2018.
Artículo
en Inglés
| MEDLINE | ID: mdl-30039423
4.
Structure-based design of hERG-neutral antihypertensive oxazalone and imidazolone derivatives.
J Mol Graph Model
; 79: 103-117, 2018 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-29156380
5.
Integration of multi-scale molecular modeling approaches with experiments for the in silico guided design and discovery of novel hERG-Neutral antihypertensive oxazalone and imidazolone derivatives and analysis of their potential restrictive effects on cell proliferation.
Eur J Med Chem
; 145: 273-290, 2018 Feb 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-29329002
6.
Structure-based design of hERG-neutral antihypertensive oxazalone and imidazolone derivatives.
J Mol Graph Model
; 77: 240-249, 2017 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-28957753
7.
Identification of novel serotonin reuptake inhibitors targeting central and allosteric binding sites: A virtual screening and molecular dynamics simulations study.
J Mol Graph Model
; 74: 193-202, 2017 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-28499269
8.
Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus Docking.
ACS Chem Neurosci
; 8(6): 1404-1415, 2017 06 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-28272861
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