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  • Currently displaying 3021 - 3040 of 30614 publications
Author(s)
Publication title
Journal Name
Publication year
Simulations of DNA-origami self-assembly reveal design-dependent nucleation barriers
A Cumberworth, D Frenkel, A Reinhardt
(2023)
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence
J Goodman, RJ Lewis, J Lam
J Cheminform
(2023)
15
AlphaFold Prediction of Structural Ensembles of Disordered Proteins
ZF Brotzakis, S Zhang, M Vendruscolo
(2023)
Associations of air pollution mixtures with ambulatory blood pressure: The MobiliSense sensor-based study
S Bista, L Chatzidiakou, RL Jones, T Benmarhnia, N Postel-Vinay, B Chaix
Environ Res
(2023)
227
Exploration and Exploitation Approaches Based on Generative Machine Learning to Identify Potent Small Molecule Inhibitors of α-Synuclein Secondary Nucleation.
RI Horne, MH Murtada, D Huo, ZF Brotzakis, RC Gregory, A Possenti, S Chia, M Vendruscolo
J Chem Theory Comput
(2023)
19
A New Optimization Strategy of Highly Branched Poly(β-Amino Ester) for Enhanced Gene Delivery: Removal of Small Molecular Weight Components
Y Li, X Wang, Z He, Z Li, M Johnson, B Qiu, R Song, S A, I Lara-Sáez, J Lyu, W Wang
Polymers (Basel)
(2023)
15
The Influence of Protein Charge and Molecular Weight on the Affinity of Aptamers
A Drees, TL Trinh, M Fischer
Pharmaceuticals (Basel)
(2023)
16
Multidimensional Protein Solubility Optimization with an Ultrahigh-Throughput Microfluidic Platform.
NA Erkamp, M Oeller, T Sneideris, H Ausserwoger, A Levin, TJ Welsh, R Qi, D Qian, N Lorenzen, H Zhu, P Sormanni, M Vendruscolo, TPJ Knowles
Analytical chemistry
(2023)
95
Tracking the Photomineralization Mechanism in Irradiated Lab-Generated and Field-Collected Brown Carbon Samples and Its Effect on Cloud Condensation Nuclei Abilities
S Müller, C Giorio, N Borduas-Dedekind
ACS environmental Au
(2023)
3
On-Chip Octanol-Assisted Liposome Assembly for Bioengineering
C Chen, KA Ganar, S Deshpande
J Vis Exp
(2023)
Kinetic Analysis Reveals the Role of Secondary Nucleation in Regenerated Silk Fibroin Self-Assembly.
A Kamada, Z Toprakcioglu, TPJ Knowles
Biomacromolecules
(2023)
24
Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath.
A Prada, ES Pós, SC Althorpe
The Journal of chemical physics
(2023)
158
Pantothenate biosynthesis in Toxoplasma gondii tachyzoites is not a drug target.
VM Howieson, J Zeng, J Kloehn, C Spry, C Marchetti, M Lunghi, E Varesio, A Soper, AG Coyne, C Abell, GG van Dooren, KJ Saliba
International Journal for Parasitology Drugs and Drug Resistance
(2023)
22
Direct Calculation of the Interfacial Free Energy between NaCl Crystal and Its Aqueous Solution at the Solubility Limit.
I Sanchez-Burgos, JR Espinosa
Physical Review Letters
(2023)
130
Scalable Palladium-Catalyzed C(sp3)–H Carbonylation of Alkylamines in Batch and Continuous Flow
J Zakrzewski, P Yaseneva, CJ Taylor, MJ Gaunt, AA Lapkin
Organic Process Research & Development
(2023)
27
Mechanism of action deconvolution of the small-molecule pathological tau aggregation inhibitor Anle138b
L Hosseini-Gerami, E Ficulle, N Humphryes-Kirilov, DC Airey, J Scherschel, S Kananathan, BJ Eastwood, S Bose, DA Collier, E Laing, D Evans, H Broughton, A Bender
Alzheimer's Research & Therapy
(2023)
15
Quantitative In Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm.
DS Wigh, M Tissot, P Pasau, JM Goodman, AA Lapkin
Journal of Physical Chemistry A
(2023)
127
A Double-Walled Tetrahedron with AgI 4 Vertices Binds Different Guests in Distinct Sites.
SE Clark, AW Heard, CT McTernan, TK Ronson, B Rossi, P Rozhin, S Marchesan, JR Nitschke
Angewandte Chemie International Edition
(2023)
62
Chemical Validation of Mycobacterium tuberculosis Phosphopantetheine Adenylyltransferase Using Fragment Linking and CRISPR Interference.
J El Bakali, M Blaszczyk, JC Evans, JA Boland, WJ McCarthy, I Fathoni, MVB Dias, EO Johnson, AG Coyne, V Mizrahi, TL Blundell, C Abell, C Spry
Angew Chem Int Ed Engl
(2023)
62
Triplet-encoded prebiotic RNA aminoacylation
M Su, C Schmitt, Z Liu, SJ Roberts, KC Liu, K Röder, A Jäschke, DJ Wales, JD Sutherland
(2023)