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  • Currently displaying 3541 - 3560 of 29275 publications
Author(s)
Publication title
Journal Name
Publication year
Machine Learning Models for Human In Vivo Pharmacokinetic Parameters with In-House Validation
F Miljković, A Martinsson, O Obrezanova, B Williamson, M Johnson, A Sykes, A Bender, N Greene
Molecular pharmaceutics
(2021)
18
Discovery of Potent Inhibitors of α-Synuclein Aggregation Using Structure-Based Iterative Learning
RI Horne, E Andrzejewska, P Alam, ZF Brotzakis, A Srivastava, A Aubert, M Nowinska, RC Gregory, R Staats, A Possenti, S Chia, P Sormanni, B Ghetti, B Caughey, TPJ Knowles, M Vendruscolo
(2021)
Charge neutral halogen bonding tetradentate-iodotriazole macrocycles capable of anion recognition and sensing in highly competitive aqueous media
T Bunchuay, K Boonpalit, A Docker, A Ruengsuk, J Tantirungrotechai, M Sukwattanasinitt, P Surawatanawong, PD Beer
Chemical communications (Cambridge, England)
(2021)
57
Thiol-Mediated α‑Amino Radical Formation via Visible-Light-Activated Ion-Pair Charge-Transfer Complexes
K Kohara, A Trowbridge, MA Smith, MJ Gaunt
Journal of the American Chemical Society
(2021)
143
How Open are Chemists? An Academic Librarian's Perspective
C Castle
(2021)
Irreversibility and Biased Ensembles in Active Matter: Insights from Stochastic Thermodynamics
É Fodor, RL Jack, ME Cates
Annual Review of Condensed Matter Physics
(2021)
13
Spatial Resolved Surface Ozone with Urban and Rural Differentiation during 1990-2019: A Space-Time Bayesian Neural Network Downscaler
H Sun, YM Shin, M Xia, S Ke, M Wan, L Yuan, Y Guo, AT Archibald
Environmental Science and Technology
(2021)
56
An open-source automated PEG precipitation assay to measure the relative solubility of proteins with low material requirement.
M Vendruscolo, M Oeller, P Sormanni
Scientific Reports
(2021)
11
RNA modulation of transport properties and stability in phase separated condensates
AR Tejedor, A Garaizar, J Ramírez, JR Espinosa
Biophysical Journal
(2021)
120
A directed sampling approach for modelling the structural and electronic properties of amorphous alumina
AF Harper, SP Emge, PCMM Magusin, CP Grey, AJ Morris
(2021)
Controlled In-Cell Generation of Active Palladium(0) Species for Bioorthogonal Decaging
J Konč, V Sabatino, E Jiménez-Moreno, E Latocheski, LR Pérez, J Day, JB Domingos, GJL Bernardes
Angewandte Chemie (International ed. in English)
(2021)
61
Diazaborines Are a Versatile Platform to Develop ROS-Responsive Antibody Drug Conjugates*.
JPM António, JI Carvalho, AS André, JNR Dias, SI Aguiar, H Faustino, RMRM Lopes, LF Veiros, GJL Bernardes, FA da Silva, PMP Gois
Angew Chem Int Ed Engl
(2021)
60
A directed sampling approach for modelling the structural and electronic properties of amorphous alumina
AF Harper, SP Emge, PCMM Magusin, CP Grey, AJ Morris
(2021)
Cryo-EM structure of MukBEF reveals DNA loop entrapment at chromosomal unloading sites.
F Bürmann, LFH Funke, JW Chin, J Löwe
Mol Cell
(2021)
81
Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges.
M Thomas, A Boardman, M Garcia-Ortegon, H Yang, C de Graaf, A Bender
Methods Mol Biol
(2021)
2390
Testing the quasicentroid molecular dynamics method on gas-phase ammonia.
C Haggard, VG Sadhasivam, G Trenins, SC Althorpe
J Chem Phys
(2021)
155
Calculated Magnetic Properties of a Recently Synthesized Corannulene-Dibenzobistetracene Hybrid.
TK Dickens, RB Mallion
The Journal of organic chemistry
(2021)
86
A Platform for Site‐Specific DNA‐Antibody Bioconjugation by Using Benzoylacrylic‐Labelled Oligonucleotides
J Konč, L Brown, DR Whiten, Y Zuo, P Ravn, D Klenerman, GJL Bernardes
Angew Chem Int Ed Engl
(2021)
60
A Platform for Site‐Specific DNA‐Antibody Bioconjugation by Using Benzoylacrylic‐Labelled Oligonucleotides
J Konč, L Brown, DR Whiten, Y Zuo, P Ravn, D Klenerman, GJL Bernardes
Angewandte Chemie
(2021)
133
Energy landscapes for a modified repulsive Weeks-Chandler-Andersen potential
A Banerjee, DJ Wales
Journal of Physics: Condensed Matter
(2021)
34