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1.
PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications.
Sci Data
; 11(1): 180, 2024 Feb 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-38336857
2.
Revealing the drug resistance mechanism of saquinavir due to G48V and V82F mutations in subtype CRF01_AE HIV-1 protease: molecular dynamics simulation and binding free energy calculations.
J Biomol Struct Dyn
; 41(3): 1000-1017, 2023 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34919029
3.
Exploring the drug resistance mechanism of active site, non-active site mutations and their cooperative effects in CRF01_AE HIV-1 protease: molecular dynamics simulations and free energy calculations.
J Biomol Struct Dyn
; 37(10): 2608-2626, 2019 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-30051758
4.
Evaluation of DNA/Protein interactions and cytotoxic studies of copper(II) complexes incorporated with N, N donor ligands and terpyridine ligand.
Int J Biol Macromol
; 95: 1254-1266, 2017 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-27838416
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