Detalhe da pesquisa
1.
RUNX3 inhibits KSHV lytic replication by binding to the viral genome and repressing transcription.
J Virol
; 98(2): e0156723, 2024 Feb 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-38197631
2.
Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition.
J Chem Inf Model
; 63(3): 986-1001, 2023 02 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36779232
3.
Molecular Cage Reports on Its Contents: Spectroscopic Signatures of Cryo-Cooled K+- and Ba2+-Benzocryptand Complexes.
J Phys Chem A
; 127(30): 6227-6240, 2023 Aug 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-37478410
4.
A generalized Kirkwood implicit solvent for the polarizable AMOEBA protein model.
J Chem Phys
; 159(5)2023 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-37526158
5.
Automation of AMOEBA polarizable force field for small molecules: Poltype 2.
J Comput Chem
; 43(23): 1530-1542, 2022 09 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35778723
6.
Hydration of divalent lanthanides, Sm2+ and Eu2+ : A molecular dynamics study with polarizable AMOEBA force field.
J Comput Chem
; 43(19): 1286-1297, 2022 07 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35648124
7.
Atomic Polarizabilities for Interactive Dipole Induction Models.
J Chem Inf Model
; 62(1): 79-87, 2022 01 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34962789
8.
Trapping Ca+ inside a molecular cavity: computational study of the potential energy surfaces for Ca+-[n]cycloparaphenylene, n = 5-12.
Phys Chem Chem Phys
; 24(17): 10085-10094, 2022 May 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35416200
9.
Inhibition of FAM83D displays antitumor effects in glioblastoma via down-regulation of the AKT/Wnt/ß-catenin pathway.
Environ Toxicol
; 37(6): 1343-1356, 2022 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-35150198
10.
An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules.
Molecules
; 27(23)2022 Dec 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-36500658
11.
Advanced Electrostatic Model for Monovalent Ions Based on Ab Initio Energy Decomposition.
J Chem Inf Model
; 61(6): 2806-2817, 2021 06 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34096706
12.
E2EDNA: Simulation Protocol for DNA Aptamers with Ligands.
J Chem Inf Model
; 61(9): 4139-4144, 2021 09 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34435773
13.
Many-body effect determines the selectivity for Ca2+ and Mg2+ in proteins.
Proc Natl Acad Sci U S A
; 115(32): E7495-E7501, 2018 08 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30038003
14.
Three-site and five-site fixed-charge water models compatible with AMOEBA force field.
J Comput Chem
; 41(10): 1034-1044, 2020 04 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31976572
15.
Accurate description of molecular dipole surface with charge flux implemented for molecular mechanics.
J Chem Phys
; 153(6): 064103, 2020 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35287459
16.
Associations between expression levels of nine core nucleotide excision repair genes in lymphocytes and risk of head and neck squamous cell carcinomas in a Chinese population.
Int J Clin Oncol
; 25(4): 660-669, 2020 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-31832883
17.
Measuring DNA Hybridization Kinetics in Live Cells Using a Time-Resolved 3D Single-Molecule Tracking Method.
J Am Chem Soc
; 141(40): 15747-15750, 2019 10 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-31509386
18.
Investigating the Association Mechanism between Rafoxanide and Povidone.
Langmuir
; 34(46): 13971-13978, 2018 11 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-30360618
19.
A physically grounded damped dispersion model with particle mesh Ewald summation.
J Chem Phys
; 149(8): 084115, 2018 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30193468
20.
LNA Thymidine Monomer Enables Differentiation of the Four Single-Nucleotide Variants by Melting Temperature.
J Am Chem Soc
; 139(20): 7110-7116, 2017 05 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-28463488