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Currently displaying 1581 - 1600 of 29779 publications

CryoENsemble - a Bayesian approach for reweighting biomolecular structural ensembles using heterogeneous cryo-EM maps

T Włodarski, JO Streit, A Mitropoulou, LD Cabrita, M Vendruscolo, J Christodoulou – (2023)

(DOI: 10.1101/2023.11.21.567999)

Machine Learning-Accelerated Discovery of A2BC2 Ternary Electrides with Diverse Anionic Electron Densities.

Z Wang, Y Gong, ML Evans, Y Yan, S Wang, N Miao, R Zheng, G-M Rignanese, J Wang – Journal of the American Chemical Society (2023) 145, 26412

(DOI: 10.1021/jacs.3c10538)

On the difficulty of validating molecular generative models realistically: a case study on public and proprietary data

K Handa, MC Thomas, M Kageyama, T Iijima, A Bender – Journal of cheminformatics (2023) 15, 112

(DOI: 10.1186/s13321-023-00781-1)

Structure-Guided Approach for the Development of MUC1-Glycopeptide-Based Cancer Vaccines with Predictable Responses.

IA Bermejo, A Guerreiro, A Eguskiza, N Martínez-Sáez, FS Lazaris, A Asín, VJ Somovilla, I Compañón, TK Raju, S Tadic, P Garrido, J García-Sanmartín, V Mangini, AS Grosso, F Marcelo, A Avenoza, JH Busto, F García-Martín, R Hurtado-Guerrero, JM Peregrina, GJL Bernardes, A Martínez, R Fiammengo, F Corzana – JACS Au (2023) 4, 150

(DOI: 10.1021/jacsau.3c00587)

Anionic Conjugated Polyelectrolyte as a Semiconducting Additive for Efficient and Stable Perovskite Solar Cells.

JH Park, YW Noh, JM Ha, AK Harit, A Tripathi, J Lee, BR Lee, MH Song, HY Woo – ACS Applied Materials and Interfaces (2023) 16, 19937

(DOI: 10.1021/acsami.3c12878)

Kinetic Trapping of Photoluminescent Frameworks During High-Concentration Synthesis of Nonemissive Metal-Organic Frameworks

A Halder, DC Bain, TA Pitt, Z Shi, J Oktawiec, J-H Lee, S Tsangari, M Ng, JJ Fuentes-Rivera, AC Forse, T Runčevski, DA Muller, AJ Musser, PJ Milner – Chemistry of Materials (2023) 35, 10086

(DOI: 10.1021/acs.chemmater.3c02121)

Naked Clams to open a new sector in sustainable nutritious food production

DF Willer, JR Shipway, D Aldridge, P Mehrshahi, A Smith, A Strachan, M Lancaster, L Archer, K Papadopoulos – npj Sustainable Agriculture (2023) 1, 4

(DOI: 10.1038/s44264-023-00004-y)

Optimised Baranyai partitioning of the second quantised Hamiltonian

B Csakany, AJW Thom – (2023)

Structural Heterogeneity and Its Influence on Nonlinear Deformation and the Fracture of Ultrasoft Hydrogels

Y Wei, D Zhao, C Creton, T Narita – Macromolecules (2023) 56, 9604

(DOI: 10.1021/acs.macromol.3c01581)

Assessment of the Temporal and Seasonal Variabilities in Air Pollution and Implications for Physical Activity in Lagos and Yaoundé

OAM Popoola, R Alani, F Assah, T Lawanson, AK Tchouaffi, C Mapa-Tassou, N Blanche, D Odekunle, R Unuigboje, VA Onifade, T Ogunro, M Thondoo, RL Jones, T Oni – Atmosphere (2023) 14, 1693

(DOI: 10.3390/atmos14111693)

Chemical Softness as a Predictor for Reactivity at Metal Surfaces

A Gunton – (2023)

(DOI: 10.17863/CAM.107244)

Maternal cardiovascular and haematological complications alter the risk associations between environmental exposure and adverse pregnancy outcomes

J Sun, H Tang, H Zhao, Q Xiang, Y Tian, KR van Daalen, K Tang, EX-L Loo, LP Shek, AT Archibald, W Xu, Y Guo, X Bai – (2023)

(DOI: 10.1101/2023.11.15.23298338)

Sequence-based prediction of the intrinsic solubility of peptides containing non-natural amino acids

M Oeller, RJD Kang, HL Bolt, AL Gomes Dos Santos, AL Weinmann, A Nikitidis, P Zlatoidsky, W Su, W Czechtizky, L De Maria, P Sormanni, M Vendruscolo – Nature Communications (2023) 14, 7475

(DOI: 10.1038/s41467-023-42940-w)

Influence of Point Mutations on PR65 Conformational Adaptability: Insights from Nanoaperture Optical Tweezer Experiments and Molecular Simulations.

I Bahar, A Banerjee, S Mathew, M Naqvi, S Yilmaz, M Zachoropoulou, P Doruker, J Kumita, S-H Yang, M Gur, L Itzhaki, R Gordon – Res Sq (2023) 4

(DOI: 10.21203/rs.3.rs-3599809/v1)

Multiplexed Digital Characterization of Misfolded Protein Oligomers via Solid-State Nanopores

SE Sandler, RI Horne, S Rocchetti, R Novak, N-S Hsu, M Castellana Cruz, Z Faidon Brotzakis, RC Gregory, S Chia, GJL Bernardes, UF Keyser, M Vendruscolo – Journal of the American Chemical Society (2023) 145, 25776

(DOI: 10.1021/jacs.3c09335)

On Machine Learning Loss Landscapes

M Niroomand – (2023)

(DOI: 10.17863/CAM.108700)

sSPhos: A General Ligand for Enantioselective Arylative Phenol Dearomatization via Electrostatically-Directed Palladium Catalysis.

M Kadarauch, DM Whalley, RJ Phipps – J Am Chem Soc (2023) 145, 25553

(DOI: 10.1021/jacs.3c10663)

Light in correlated disordered media

K Vynck, R Pierrat, R Carminati, LS Froufe-Pérez, F Scheffold, R Sapienza, S Vignolini, JJ Sáenz – Reviews of Modern Physics (2023) 95, 045003

(DOI: 10.1103/RevModPhys.95.045003)