Detalhe da pesquisa
1.
TDI-like multi-slit hyperspectral imaging for enhanced throughput via the Kalman filter.
Opt Express
; 31(12): 19293-19308, 2023 Jun 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37381347
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.
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
4.
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
5.
Multi-echo balanced SSFP with a sequential phase-encoding order for functional MR imaging at 7T.
Magn Reson Med
; 88(3): 1303-1313, 2022 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-35657055
6.
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
7.
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
8.
Aurora kinase inhibition sensitizes melanoma cells to T-cell-mediated cytotoxicity.
Cancer Immunol Immunother
; 70(4): 1101-1113, 2021 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-33123754
9.
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
10.
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
11.
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
12.
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
13.
Hyperandrogen enhances apoptosis of human ovarian granulosa cells via up-regulation and demethylation of PDCD4.
Gynecol Endocrinol
; 36(4): 333-337, 2020 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-31423917
14.
Organic Semiconducting Alloys with Tunable Energy Levels.
J Am Chem Soc
; 141(16): 6561-6568, 2019 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-30810311
15.
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
16.
Molecular dynamics simulation, ab initio calculation, and size-selected anion photoelectron spectroscopy study of initial hydration processes of calcium chloride.
J Chem Phys
; 148(22): 222839, 2018 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-29907039
17.
Initial hydration processes of magnesium chloride: size-selected anion photoelectron spectroscopy and ab initio calculations.
Phys Chem Chem Phys
; 19(23): 15562-15569, 2017 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-28581547
18.
Study of interactions between metal ions and protein model compounds by energy decomposition analyses and the AMOEBA force field.
J Chem Phys
; 147(16): 161733, 2017 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29096462
19.
Screening and Functional Analyses of Nilaparvata lugens Salivary Proteome.
J Proteome Res
; 15(6): 1883-96, 2016 06 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-27142481
20.
From thermodynamics to kinetics: enhanced sampling of rare events.
Acc Chem Res
; 48(4): 947-55, 2015 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-25781363