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- Currently displaying 3541 - 3560 of 29275 publications
Machine Learning Models for Human In Vivo Pharmacokinetic Parameters with In-House Validation
Molecular pharmaceutics
(2021)
18
4520
Discovery of Potent Inhibitors of α-Synuclein Aggregation Using Structure-Based Iterative Learning
(2021)
2021.11.10.468009
(doi: 10.1101/2021.11.10.468009)
Charge neutral halogen bonding tetradentate-iodotriazole macrocycles capable of anion recognition and sensing in highly competitive aqueous media
Chemical communications (Cambridge, England)
(2021)
57
11976
(doi: 10.1039/d1cc05037k)
Thiol-Mediated α‑Amino Radical Formation via Visible-Light-Activated Ion-Pair Charge-Transfer Complexes
Journal of the American Chemical Society
(2021)
143
19268
(doi: 10.1021/jacs.1c09445)
Irreversibility and Biased Ensembles in Active Matter: Insights from Stochastic Thermodynamics
Annual Review of Condensed Matter Physics
(2021)
13
215
Spatial Resolved Surface Ozone with Urban and Rural Differentiation during 1990-2019: A Space-Time Bayesian Neural Network Downscaler
Environmental Science and Technology
(2021)
56
7337
(doi: 10.1021/acs.est.1c04797)
An open-source automated PEG precipitation assay to measure the relative solubility of proteins with low material requirement.
Scientific Reports
(2021)
11
21932
(doi: 10.1038/s41598-021-01126-4)
RNA modulation of transport properties and stability in phase separated condensates
Biophysical Journal
(2021)
120
5169
(doi: 10.1016/j.bpj.2021.11.003)
A directed sampling approach for modelling the structural and electronic properties of amorphous alumina
(2021)
(doi: 10.33774/chemrxiv-2021-qjzbj)
Controlled In-Cell Generation of Active Palladium(0) Species for Bioorthogonal Decaging
Angewandte Chemie (International ed. in English)
(2021)
61
e202113519
(doi: 10.1002/anie.202113519)
Diazaborines Are a Versatile Platform to Develop ROS-Responsive Antibody Drug Conjugates*.
Angew Chem Int Ed Engl
(2021)
60
25914
(doi: 10.1002/anie.202109835)
A directed sampling approach for modelling the structural and electronic properties of amorphous alumina
(2021)
(doi: 10.26434/chemrxiv-2021-qjzbj)
Cryo-EM structure of MukBEF reveals DNA loop entrapment at chromosomal unloading sites.
Mol Cell
(2021)
81
4891
(doi: 10.1016/j.molcel.2021.10.011)
Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges.
Methods Mol Biol
(2021)
2390
1
(doi: 10.1007/978-1-0716-1787-8_1)
Testing the quasicentroid molecular dynamics method on gas-phase ammonia.
J Chem Phys
(2021)
155
174120
(doi: 10.1063/5.0068250)
Calculated Magnetic Properties of a Recently Synthesized Corannulene-Dibenzobistetracene Hybrid.
The Journal of organic chemistry
(2021)
86
17404
(doi: 10.1021/acs.joc.1c01836)
A Platform for Site‐Specific DNA‐Antibody Bioconjugation by Using Benzoylacrylic‐Labelled Oligonucleotides
Angew Chem Int Ed Engl
(2021)
60
25905
(doi: 10.1002/anie.202109713)
A Platform for Site‐Specific DNA‐Antibody Bioconjugation by Using Benzoylacrylic‐Labelled Oligonucleotides
Angewandte Chemie
(2021)
133
26109
(doi: 10.1002/ange.202109713)
Energy landscapes for a modified repulsive Weeks-Chandler-Andersen potential
Journal of Physics: Condensed Matter
(2021)
34
034004
(doi: 10.1088/1361-648x/ac2f6d)