Detalhe da pesquisa
1.
Computational Analysis of Activation of Dimerized Epidermal Growth Factor Receptor Kinase Using the String Method and Markov State Model.
J Chem Inf Model
; 64(9): 3884-3895, 2024 May 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-38670929
2.
Binding and Unbinding Pathways of Peptide Substrates on the SARS-CoV-2 3CL Protease.
J Chem Inf Model
; 63(1): 240-250, 2023 01 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36539353
3.
Structural and dynamical insights into the PH domain of p62 in human TFIIH.
Nucleic Acids Res
; 49(5): 2916-2930, 2021 03 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-33211877
4.
Comparison of the Molecular Motility of Tubulin Dimeric Isoforms: Molecular Dynamics Simulations and Diffracted X-ray Tracking Study.
Int J Mol Sci
; 24(20)2023 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37895101
5.
Supramolecular Mechanosensitive Potassium Channel Formed by Fluorinated Amphiphilic Cyclophane.
J Am Chem Soc
; 144(26): 11802-11809, 2022 07 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35727684
6.
Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor.
J Chem Inf Model
; 61(7): 3583-3592, 2021 07 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-34228431
7.
Mechanism of Vitamin D Receptor Ligand-Binding Domain Regulation Studied by gREST Simulations.
J Chem Inf Model
; 61(7): 3625-3637, 2021 07 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-34189910
8.
Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1.
Bioorg Med Chem
; 52: 116500, 2021 12 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34801826
9.
An accurate and rapid method for calculating hydration free energies of a variety of solutes including proteins.
J Chem Phys
; 150(17): 175101, 2019 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31067910
10.
Hybrid Methods for Modeling Protein Structures Using Molecular Dynamics Simulations and Small-Angle X-Ray Scattering Data.
Adv Exp Med Biol
; 1105: 237-258, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-30617833
11.
Rotation Mechanism of Molecular Motor V1-ATPase Studied by Multiscale Molecular Dynamics Simulation.
Biophys J
; 112(5): 911-920, 2017 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-28297650
12.
Correction to "Supramolecular Mechanosensitive Potassium Channel Formed by Fluorinated Amphiphilic Cyclophane".
J Am Chem Soc
; 144(30): 13983-13984, 2022 Aug 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35861320
13.
An accurate and efficient computation method of the hydration free energy of a large, complex molecule.
J Chem Phys
; 142(17): 175101, 2015 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25956125
14.
TLR3 forms a laterally aligned multimeric complex along double-stranded RNA for efficient signal transduction.
Nat Commun
; 14(1): 164, 2023 01 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36631495
15.
Mandibulofacial dysostosis with alopecia results from ETAR gain-of-function mutations via allosteric effects on ligand binding.
J Clin Invest
; 133(4)2023 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36637912
16.
Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2.
Nat Commun
; 14(1): 7150, 2023 11 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-37932263
17.
Functional dynamics of SARS-CoV-2 3C-like protease as a member of clan PA.
Biophys Rev
; 14(6): 1473-1485, 2022 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-36474932
18.
3D-RISM-AI: A Machine Learning Approach to Predict Protein-Ligand Binding Affinity Using 3D-RISM.
J Phys Chem B
; 126(33): 6148-6158, 2022 08 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-35969673
19.
Development of the force field for cyclosporine A.
Biophys Physicobiol
; 19: e190045, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36567735
20.
Structure of SARS-CoV-2 membrane protein essential for virus assembly.
Nat Commun
; 13(1): 4399, 2022 08 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35931673