Detalhe da pesquisa
1.
The mechanism of covalent inhibition of LAR phosphatase by illudalic acid.
Bioorg Med Chem Lett
; 104: 129740, 2024 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38599294
2.
Systematic Investigation of Tether Length and Phosphorus Configuration in Backbone Constrained Macrocyclic Nucleic Acids to Modulate Binding Kinetics for RNA.
J Org Chem
; 88(6): 3599-3614, 2023 03 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-36857642
3.
Benchmarking the Drude Polarizable Force Field Using the r(GACC) Tetranucleotide.
J Chem Inf Model
; 63(8): 2505-2511, 2023 04 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-36996447
4.
AmberTools.
J Chem Inf Model
; 63(20): 6183-6191, 2023 Oct 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37805934
5.
Ethidium bromide interactions with DNA: an exploration of a classic DNA-ligand complex with unbiased molecular dynamics simulations.
Nucleic Acids Res
; 49(7): 3735-3747, 2021 04 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-33764383
6.
Riboflavin Stabilizes Abasic, Oxidized G-Quadruplex Structures.
Biochemistry
; 61(4): 265-275, 2022 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35104101
7.
Backbone Hydrocarbon-Constrained Nucleic Acids Modulate Hybridization Kinetics for RNA.
J Am Chem Soc
; 144(4): 1941-1950, 2022 02 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-35041415
8.
Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices.
J Am Chem Soc
; 143(29): 10910-10919, 2021 07 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34255504
9.
Molecular basis for the broad substrate selectivity of a peptide prenyltransferase.
Proc Natl Acad Sci U S A
; 113(49): 14037-14042, 2016 12 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-27872314
10.
Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory data.
J Comput Chem
; 39(25): 2110-2117, 2018 09 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-30368859
11.
Mg2+ Binding Promotes SLV as a Scaffold in Varkud Satellite Ribozyme SLI-SLV Kissing Loop Junction.
Biophys J
; 113(2): 313-320, 2017 Jul 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-28669407
12.
Probing the influence of hypermodified residues within the tRNA3(Lys) anticodon stem loop interacting with the A-loop primer sequence from HIV-1.
Biochim Biophys Acta
; 1860(3): 607-17, 2016 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-26655694
13.
Highly sampled tetranucleotide and tetraloop motifs enable evaluation of common RNA force fields.
RNA
; 21(9): 1578-90, 2015 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-26124199
14.
Application of Thiol-yne/Thiol-ene Reactions for Peptide and Protein Macrocyclizations.
Chemistry
; 23(29): 7087-7092, 2017 May 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-28345248
15.
Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences.
J Chem Inf Model
; 57(2): 275-287, 2017 02 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-28059516
16.
Intercalation processes of copper complexes in DNA.
Nucleic Acids Res
; 43(11): 5364-76, 2015 Jun 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-25958394
17.
Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC).
Biochim Biophys Acta
; 1850(5): 1041-1058, 2015 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-25219455
18.
Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics Simulations.
J Chem Inf Model
; 56(7): 1282-91, 2016 07 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-27286268
19.
Efficient treatment of induced dipoles.
J Chem Phys
; 143(7): 074115, 2015 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26298123
20.
Structural dynamics of possible late-stage intermediates in folding of quadruplex DNA studied by molecular simulations.
Nucleic Acids Res
; 41(14): 7128-43, 2013 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-23700306