Detalhe da pesquisa
1.
Highly stable preferential carbon monoxide oxidation by dinuclear heterogeneous catalysts.
Proc Natl Acad Sci U S A
; 120(1): e2206850120, 2023 01 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36577066
2.
High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc Natl Acad Sci U S A
; 119(1)2022 01 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-34937700
3.
Mapping N- to C-terminal allosteric coupling through disruption of a putative CD74 activation site in D-dopachrome tautomerase.
J Biol Chem
; 299(6): 104729, 2023 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-37080391
4.
A Resilient Platform for the Discrete Functionalization of Gold Surfaces Based on N-Heterocyclic Carbene Self-Assembled Monolayers.
J Am Chem Soc
; 146(15): 10489-10497, 2024 Apr 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-38584354
5.
Breaking a Molecular Scaling Relationship Using an Iron-Iron Fused Porphyrin Electrocatalyst for Oxygen Reduction.
J Am Chem Soc
; 146(17): 11622-11633, 2024 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38639470
6.
ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation.
J Chem Inf Model
; 64(3): 653-665, 2024 Feb 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-38287889
7.
Intrinsic electronic conductivity of individual atomically resolved amyloid crystals reveals micrometer-long hole hopping via tyrosines.
Proc Natl Acad Sci U S A
; 118(2)2021 01 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33372136
8.
Substrate-independent activation pathways of the CRISPR-Cas9 HNH nuclease.
Biophys J
; 122(24): 4635-4644, 2023 12 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37936350
9.
Amine Hole Scavengers Facilitate Both Electron and Hole Transfer in a Nanocrystal/Molecular Hybrid Photocatalyst.
J Am Chem Soc
; 145(5): 3238-3247, 2023 Feb 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-36706437
10.
Tools for analyzing protonation states and for tracing proton transfer pathways with examples from the Rb. sphaeroides photosynthetic reaction centers.
Photosynth Res
; 156(1): 101-112, 2023 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-36307598
11.
A quantitative assessment of (bacterio)chlorophyll assignments in the cryo-EM structure of the Chloracidobacterium thermophilum reaction center.
Photosynth Res
; 2023 Sep 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-37749456
12.
Small, Electron-Donating Substituents Give CO2 Activation by Permethylpentalene Zirconium Amido Complexes the Upper Hand: A DFT Study of Distortion and Interaction.
Inorg Chem
; 62(7): 3000-3006, 2023 Feb 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-36752721
13.
HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction.
J Chem Inf Model
; 63(7): 1947-1960, 2023 04 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-36988912
14.
Development of a new quantum trajectory molecular dynamics framework.
Philos Trans A Math Phys Eng Sci
; 381(2253): 20220325, 2023 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37393934
15.
Phenolic chalcones as agents against Trichomonas vaginalis.
Bioorg Chem
; 141: 106888, 2023 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-37839143
16.
An exact imaginary-time path-integral phase-space formulation of multi-time correlation functions.
J Chem Phys
; 158(9): 094101, 2023 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36889944
17.
Matsubara dynamics approximation for generalized multi-time correlation functions.
J Chem Phys
; 158(18)2023 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37154285
18.
MDiGest: A Python package for describing allostery from molecular dynamics simulations.
J Chem Phys
; 158(21)2023 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-37272574
19.
Distinct allosteric pathways in imidazole glycerol phosphate synthase from yeast and bacteria.
Biophys J
; 121(1): 119-130, 2022 01 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-34864045
20.
Structural Insights into Binding of Remdesivir Triphosphate within the Replication-Transcription Complex of SARS-CoV-2.
Biochemistry
; 61(18): 1966-1973, 2022 09 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-36044776