Detalhe da pesquisa
1.
Importance of Engineered and Learned Molecular Representations in Predicting Organic Reactivity, Selectivity, and Chemical Properties.
Acc Chem Res
; 54(4): 827-836, 2021 02 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-33534534
2.
Performance-advantaged ether diesel bioblendstock production by a priori design.
Proc Natl Acad Sci U S A
; 116(52): 26421-26430, 2019 Dec 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-31843899
3.
Bayesian inference of metabolic kinetics from genome-scale multiomics data.
PLoS Comput Biol
; 15(11): e1007424, 2019 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-31682600
4.
Message-passing neural networks for high-throughput polymer screening.
J Chem Phys
; 150(23): 234111, 2019 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31228909
5.
Functional network inference of the suprachiasmatic nucleus.
Proc Natl Acad Sci U S A
; 113(16): 4512-7, 2016 Apr 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-27044085
6.
Metabolic Engineering of Actinobacillus succinogenes Provides Insights into Succinic Acid Biosynthesis.
Appl Environ Microbiol
; 83(17)2017 09 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28625987
7.
Spatiotemporal separation of PER and CRY posttranslational regulation in the mammalian circadian clock.
Proc Natl Acad Sci U S A
; 111(5): 2040-5, 2014 Feb 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-24449901
8.
Quantifying Stochastic Noise in Cultured Circadian Reporter Cells.
PLoS Comput Biol
; 11(11): e1004451, 2015 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-26588000
9.
Amplitude metrics for cellular circadian bioluminescence reporters.
Biophys J
; 107(11): 2712-22, 2014 Dec 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-25468350
10.
Upper-Bound Energy Minimization to Search for Stable Functional Materials with Graph Neural Networks.
JACS Au
; 3(1): 113-123, 2023 Jan 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36711088
11.
PolyID: Artificial Intelligence for Discovering Performance-Advantaged and Sustainable Polymers.
Macromolecules
; 56(21): 8547-8557, 2023 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38024155
12.
Muconic acid production from glucose and xylose in Pseudomonas putida via evolution and metabolic engineering.
Nat Commun
; 13(1): 4925, 2022 08 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-35995792
13.
A quantitative metric for organic radical stability and persistence using thermodynamic and kinetic features.
Chem Sci
; 12(39): 13158-13166, 2021 Oct 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-34745547
14.
Thermodynamic and Kinetic Modeling of Co-utilization of Glucose and Xylose for 2,3-BDO Production by Zymomonas mobilis.
Front Bioeng Biotechnol
; 9: 707749, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34381766
15.
Advances in integrative structural biology: Towards understanding protein complexes in their cellular context.
Comput Struct Biotechnol J
; 19: 214-225, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-33425253
16.
Real-time prediction of 1H and 13C chemical shifts with DFT accuracy using a 3D graph neural network.
Chem Sci
; 12(36): 12012-12026, 2021 Sep 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34667567
17.
Bayesian Inference for Integrating Yarrowia lipolytica Multiomics Datasets with Metabolic Modeling.
ACS Synth Biol
; 10(11): 2968-2981, 2021 11 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-34636549
18.
Software and Methods for Computational Flux Balance Analysis.
Methods Mol Biol
; 2096: 165-177, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-32720154
19.
Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost.
Nat Commun
; 11(1): 3066, 2020 Jun 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32528011
20.
Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost.
Nat Commun
; 11(1): 2328, 2020 05 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32393773