Detalhe da pesquisa
1.
Enforcing Local DNA Kinks by Sequence-Selective Trisintercalating Oligopeptides of a Tricationic Porphyrin: A Polarizable Molecular Dynamics Study.
Chemphyschem
; 25(3): e202300776, 2024 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38088522
2.
YB-1 unwinds mRNA secondary structures in vitro and negatively regulates stress granule assembly in HeLa cells.
Nucleic Acids Res
; 49(17): 10061-10081, 2021 09 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34469566
3.
Targeting the Major Groove of the Palindromic d(GGCGCC)2 Sequence by Oligopeptide Derivatives of Anthraquinone Intercalators.
J Chem Inf Model
; 62(24): 6649-6666, 2022 12 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-35895094
4.
Strong Enrichment of Aromatic and Sulfur-Containing Residues in Ligand-Protein Binding Sites.
J Chem Inf Model
; 59(11): 4921-4928, 2019 11 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-31661621
5.
From in silica to in silico: retention thermodynamics at solid-liquid interfaces.
Phys Chem Chem Phys
; 20(27): 18610-18622, 2018 Jul 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-29953146
6.
Extending Halogen-based Medicinal Chemistry to Proteins: IODO-INSULIN AS A CASE STUDY.
J Biol Chem
; 291(53): 27023-27041, 2016 12 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-27875310
7.
A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations.
J Chem Inf Model
; 56(8): 1479-89, 2016 08 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-27438992
8.
Could the "Janus-like" properties of the halobenzene CX bond (X=Cl, Br) be leveraged to enhance molecular recognition?
J Comput Chem
; 36(4): 210-21, 2015 Feb 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-25408206
9.
Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: bimetallic binding site and structured waters.
J Comput Chem
; 35(29): 2096-106, 2014 Nov 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-25212748
10.
Substituent-modulated affinities of halobenzene derivatives to the HIV-1 integrase recognition site. Analyses of the interaction energies by parallel quantum chemical and polarizable molecular mechanics.
J Phys Chem A
; 118(41): 9772-82, 2014 Oct 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-25230384
11.
Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effective Alchemical Free-Energy Computation.
J Chem Theory Comput
; 20(11): 4481-4498, 2024 Jun 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38805379
12.
Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?
J Comput Chem
; 34(13): 1125-35, 2013 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-23386428
13.
Targeting RNA:protein interactions with an integrative approach leads to the identification of potent YBX1 inhibitors.
Elife
; 122023 01 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-36651723
14.
Correction to A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations.
J Chem Inf Model
; 57(1): 102-103, 2017 01 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-28054774
15.
Identification of a small molecule splicing inhibitor targeting UHM domains.
FEBS J
; 289(3): 682-698, 2022 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34520118
16.
The cooperative binding of TDP-43 to GU-rich RNA repeats antagonizes TDP-43 aggregation.
Elife
; 102021 09 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34490845
17.
Lin28, a major translation reprogramming factor, gains access to YB-1-packaged mRNA through its cold-shock domain.
Commun Biol
; 4(1): 359, 2021 03 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-33742080
18.
Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin.
J Phys Chem B
; 124(30): 6540-6554, 2020 07 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-32589026
19.
Quantum-Chemistry Based Design of Halobenzene Derivatives With Augmented Affinities for the HIV-1 Viral G4/C16 Base-Pair.
Front Chem
; 8: 440, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-32637391
20.
Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'.
Elife
; 82019 06 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-31219783