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1.
Characterizing the stabilization effects of stabilizers in protein-protein systems with end-point binding free energy calculations.
Brief Bioinform
; 23(3)2022 05 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-35395683
2.
Exhaustively Exploring the Prevalent Interaction Pathways of Ligands Targeting the Ligand-Binding Pocket of Farnesoid X Receptor via Combined Enhanced Sampling.
J Chem Inf Model
; 63(23): 7529-7544, 2023 Dec 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-37983966
3.
Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning.
J Chem Inf Model
; 62(17): 3993-4007, 2022 09 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-36040137
4.
Uncovering the Kinetic Characteristics and Degradation Preference of PROTAC Systems with Advanced Theoretical Analyses.
JACS Au
; 3(6): 1775-1789, 2023 Jun 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-37388700
5.
Deciphering the Shared and Specific Drug Resistance Mechanisms of Anaplastic Lymphoma Kinase via Binding Free Energy Computation.
Research (Wash D C)
; 6: 0170, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37342628
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