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Understanding Transition Metal Chemistry
S Boss, P Barker, J Field, A Peel -
Beyond global metrics in capacitive water deionization: Position-resolved ion concentration from operando X-ray transmission
MV Rauscher, R Kohns, M Seyffertitz, S Stock, S Haas, V Presser, C Prehal, N Hüsing, O Paris - 119849
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.
H MacDermott-Opeskin, J Scheen, C Wognum, JT Horton, D West, AM Payne, MA Castellanos, S Colby, E Griffen, D Cousins, J Stacey, L Reid, JC Aschenbrenner, D Fearon, B Balcomb, P Marples, CWE Tomlinson, R Lithgo, AS Godoy, M Winokan, H Barr, N Lahav, M Lavi, S Duberstein, G Cohen, G Fate, B Lefker, R Robinson, T Szommer, N Lynch, DDL Minh, VNT La, L Kang, K Huddleston, R Renslow, M Tollefson, WP Walters, C Xu, J Hsu, J St-Laurent, H Etsmoberg, L Zhu, A Quirke, MI Abdul Haleem, I Alibay, G Baid, B Birnbaum, KP Bishop, H Bohorquez, A Bose, CJ Brown, J Burns, L Cai, R Cedeno, S de Cesco, V Chupakhin, F Clark, DJ Cole, C Corbi-Verge, M Danial, A Davi, W Dehaen, NP Doering, A Dougha, M-P Dréanic, B Eakin, A Ehrlich, R Elijosius, J Fülöp, A Gitter, K Goossens, Y Gu, T Head-Gordon, L Hoffer, J Hofmans, E Jiang, B Kaminow, S Khosravi, AF Khoualdi, EB Lenselink, Z Liu, Y Liu, S Liu, Y Ma, P Maher, I Mayer, O Mendez-Lucio, ASJS Mey, J Michel, F Montanari, T Niu, R Ogino, A Palaniappan, X Pan, A Patnaik, L-H Pham, L Pinto, J Purnomo, A Rich, L Schaaf, C Schran, RK Singh, M Srilakshmi, SP Srivastava, K Sun, Z Sun, V Talagayev, B Thirukonda Subramanian Balakrishnan, I Titus, A Tkatchenko, W Treyde, G Tricarico, A Tripp, N Vithayapalert, Y Wang, AT Wasi, S Wedig, G Wolber, B Xu, W Zhou, F von Delft, A Lee, K Kirkegaard, P Sjö, JS Fraser, JD Chodera - acs.jcim.5c02106
Electrostatic control of chromatin compaction safeguards against apoptotic DNA release
MFD Spicer, S Wijma, N Schütte, J Huertas, MJ Maristany, JI Pérez López, L Chen, M Alaabo, MK Rosen, R Collepardo-Guevara, DW Gerlich -
Condensate-Driven Transcriptional Reprogramming Defines Core Vulnerabilities in Esophageal and Gastric Cancers
L Alvarez-Carrion, AR Tejedor, JA Ardura, V Alonso, C Alonso-Moreno, R Collepardo-Guevara, I Gutierrez-Rojas, C Privat, V Moreno, E Calvo, B Gyorffy, JR Espinosa, A Ocana -
Clay Edges Are Dynamic Proton-Conducting Networks Modulated by Structure and pH
Y Feng, XR Advincula, H Fang, C Schran - acs.jpclett.5c03748
Defect-Limited Efficiency of Pnictogen Chalcohalide Solar Cells
C López, SR Kavanagh, P Benítez, E Saucedo, A Walsh, DO Scanlon, C Cazorla - acs.chemmater.5c03275
Stereoselective additions to alkenylphosphonium salts for the synthesis of P-stereogenic compounds.
X-B Chen, D Padín, BL Feringa -
Exploring Size-Controlled Exciton Evolution Using DNA Libraries.
J Gorman, S Orsborne, P Budden, A Sridhar, JL Greenfield, DG Congrave, R Pandya, Y Liu, S Dowland, S Ryan, H Bronstein, JR Nitschke, A Rao, R Collepardo-Guevara, E Stulz, F Auras, RH Friend - jacs.5c21113
A Goldilocks zone of DNA flexibility defines stable yet plastic nucleosomes, tuned by histone chemistry
JI Perez-Lopez, MJ Maristany, SE Farr, J Huertas, R Collepardo-Guevara -
A universal phase-plane model for in vivo protein aggregation
MW Cotton, A Goriely, D Klenerman, G Meisl - 075101
Structural defects in amyloid-β fibrils drive secondary nucleation
J Hu, T Scheidt, D Thacker, E Axell, E Stemme, U Łapińska, S Wennmalm, G Meisl, S Curk, M Andreasen, M Vendruscolo, P Arosio, A Šarić, JD Schmit, TPJ Knowles, E Sparr, S Linse, TCT Michaels, AJ Dear - 1933
Macrocyclic Covalent Encapsulation of a Multi-Resonant Emitter: Understanding and Controlling Interactions in Highly Efficient Deep-Blue OLEDs.
EM Holdsworth, H-H Cho, AD Bond, S Montanaro, S-J Woo, T Huang, J Shaikh, F Hassan, S Gorgon, V Riesgo-Gonzalez, AJ Gillett, DG Congrave, RH Friend, HA Bronstein - jacs.5c16290
Exploiting the path-integral radius of gyration in open quantum dynamics
AC Hunt, SC Althorpe -
Machine Learning-Assisted Detection of Phosgene and Acetyl Chloride via a Dual-Probe Fluorescent Platform with Differential Reactivity.
J Ding, Y Meng, L Zhang, X Li, M Pan, W Dong, K Song, Y Liu, S Yang, H Ma - acs.analchem.5c06372
Disulphide and sequence-encoded conformational priors guide nanobody structure prediction
M Ali, M Jaskolowski, M Greenig, TH Nguyen, M Crnogaj, E Smorodina, A Ramon, H Zhao, ML Fernández-Quintero, E Ghedin, V Greiff, P Sormanni -
Dielectrocapillarity for exquisite control of fluids
AT Bui, SJ Cox -
Metadiffusion: inference-time meta-energy biasing of biomolecular diffusion models
HYI Lam, S Pujalte Ojeda, M Brezinova, J Hanke, XE Ong, Y Mu, M Vendruscolo -
Sequencing DNA methylation and hydroxymethylation at co-occurring chromatin features
RDC Araujo Tavares, S Dhir, X He, J Monahan, M Taipale, P Golder, A Ciau-Uitz, W Gosal, D Tannahill, S Balasubramanian -
Sodium Vacancy, Nickel Charge and Orbital Order: Structural Evolution in Electrochemically Desodiated NaxNiO2
JMA Steele, JD Bocarsly, LAV Nagle-Cocco, GS Phillips, FN Sayed, GI Lampronti, F Orlandi, P Manuel, I Mikulsa, CP Grey, SE Dutton -