Detalles de la búsqueda
1.
Machine learning and protein allostery.
Trends Biochem Sci
; 48(4): 375-390, 2023 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-36564251
2.
Single-cell causal network inferred by cross-mapping entropy.
Brief Bioinform
; 24(5)2023 09 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-37544659
3.
Biological and Bioinspired Thermal Energy Regulation and Utilization.
Chem Rev
; 123(11): 7081-7118, 2023 06 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-37162476
4.
PASSer: fast and accurate prediction of protein allosteric sites.
Nucleic Acids Res
; 51(W1): W427-W431, 2023 07 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-37102691
5.
Corrosion Dynamics of Carbon-Supported Platinum Electrocatalysts with Metal-Carbon Interactions Revealed by In Situ Liquid Transmission Electron Microscopy.
Nano Lett
; 24(7): 2157-2164, 2024 Feb 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-38319745
6.
ß-sheets mediate the conformational change and allosteric signal transmission between the AsLOV2 termini.
J Comput Chem
; 45(17): 1493-1504, 2024 Jun 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-38476039
7.
Phototaxis Flight of Microdroplets in a Laser.
Phys Rev Lett
; 132(10): 104001, 2024 Mar 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-38518322
8.
AlphaFold2-Enabled Atomistic Modeling of Structure, Conformational Ensembles, and Binding Energetics of the SARS-CoV-2 Omicron BA.2.86 Spike Protein with ACE2 Host Receptor and Antibodies: Compensatory Functional Effects of Binding Hotspots in Modulating Mechanisms of Receptor Binding and Immune Escape.
J Chem Inf Model
; 64(5): 1657-1681, 2024 Mar 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-38373700
9.
Human hand as a powerless and multiplexed infrared light source for information decryption and complex signal generation.
Proc Natl Acad Sci U S A
; 118(15)2021 04 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-33876757
10.
A Graphene Quantum Dot Film with a Nanoengineered Crack-Like Surface via Bubble-Induced Self-Assembly for High-Power Thermal Energy Management Applications.
Nano Lett
; 23(1): 259-266, 2023 Jan 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36542060
11.
Transcriptomic and Proteomic Analyses Unveil the Role of Nitrogen Metabolism in the Formation of Chinese Cabbage Petiole Spot.
Int J Mol Sci
; 25(3)2024 Jan 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38338646
12.
PASSerRank: Prediction of allosteric sites with learning to rank.
J Comput Chem
; 44(28): 2223-2229, 2023 10 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-37561047
13.
One-Pot Synthesis of Acetylacetonate-Based Isomeric Phosphorescent Cyclometalated Iridium(III) Complexes via Random Cyclometalation: A Strategy for Excited-State Manipulation.
Inorg Chem
; 62(3): 1202-1209, 2023 Jan 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-36622043
14.
Exploring and Learning the Universe of Protein Allostery Using Artificial Intelligence Augmented Biophysical and Computational Approaches.
J Chem Inf Model
; 63(5): 1413-1428, 2023 03 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-36827465
15.
Markov State Models and Perturbation-Based Approaches Reveal Distinct Dynamic Signatures and Hidden Allosteric Pockets in the Emerging SARS-Cov-2 Spike Omicron Variant Complexes with the Host Receptor: The Interplay of Dynamics and Convergent Evolution Modulates Allostery and Functional Mechanisms.
J Chem Inf Model
; 63(16): 5272-5296, 2023 08 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-37549201
16.
LAST: Latent Space-Assisted Adaptive Sampling for Protein Trajectories.
J Chem Inf Model
; 63(1): 67-75, 2023 01 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-36472885
17.
Unveiling the structural features that regulate carbapenem deacylation in KPC-2 through QM/MM and interpretable machine learning.
Phys Chem Chem Phys
; 25(2): 1349-1362, 2023 Jan 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-36537692
18.
Probing conformational landscapes of binding and allostery in the SARS-CoV-2 omicron variant complexes using microsecond atomistic simulations and perturbation-based profiling approaches: hidden role of omicron mutations as modulators of allosteric signaling and epistatic relationships.
Phys Chem Chem Phys
; 25(32): 21245-21266, 2023 Aug 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-37548589
19.
Homology modeling of Forkhead box protein C2: identification of potential inhibitors using ligand and structure-based virtual screening.
Mol Divers
; 27(4): 1661-1674, 2023 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-36048303
20.
From Deep Mutational Mapping of Allosteric Protein Landscapes to Deep Learning of Allostery and Hidden Allosteric Sites: Zooming in on "Allosteric Intersection" of Biochemical and Big Data Approaches.
Int J Mol Sci
; 24(9)2023 Apr 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-37175454