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Currently displaying 361 - 380 of 31130 publications

Towards generative models for de novo antibody design

M Greenig

(2026)

(doi: 10.17863/CAM.133006)

The second Gibbs paradox.

D Frenkel

The Journal of Chemical Physics

(2026)

164

094503

(doi: 10.1063/5.0314217)

Solar Air-to-Fuel Technologies for a Circular Carbon Economy

S Kar, E Reisner

J Am Chem Soc

(2026)

148

10267

(doi: 10.1021/jacs.5c21750)

Bulk hexagonal diamond.

S Lai, X Yang, J Shi, S Liu, Y Guo, L Yan, J Zang, Z Zhang, Q Jia, J Sun, S Cheng, C Shan

Nature

(2026)

651

621

(doi: 10.1038/s41586-026-10212-4)

Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

E Smorodina, M Ali, KK Brumat, L Salicari, S Miklavc, A Kappassov, C Fu, P Sormanni, A de Marco, V Greiff

(2026)

(doi: 10.64898/2026.03.02.709004)

Scaling Relations of Multicomponent Phase Coexistence Boundaries

D Qian, J Acker, RM Scrutton, CM Fischer, S Qamar, T Sneideris, A Borodavka, TPJ Knowles

PRX Life

(2026)

013026

(doi: 10.1103/t2v5-49k4)

Charge-triggered switching mechanism in selenium selector enabling ultralow leakage current.

Y Sun, T Gotoh, J Zhao, M Zhang, S Shi, H Zhang, Z Liu, J Shen, R Dronskowski, Z Song, SR Elliott, M Zhu

Nat Mater

(2026)

651

(doi: 10.1038/s41563-026-02499-5)

Anode-Free Cell Concepts: Critical Analysis and Development of Practical Batteries

S Menkin, E Ayerbe, AB Gunnarsdóttir, D Del Olmo, P López-Aranguren, A Rafique, J Rikarte, S Chauque, X Shi, O Guillon, R Dominko, P Schlee, M Finsterbusch, A Kvasha, D Fattakhova-Rohlfing

Small

(2026)

e13633

(doi: 10.1002/smll.202513633)

Atomistic Origin of Photoluminescence Quenching in Colloidal MoS2and WS2Nanoplatelets

S Kumar, M Fröhlich, S Velja, M Kögel, O Strolka, A Niebur, S Ginzburg, MS Ramzan, JC Meyer, J Lauth, C Cocchi

Nano Lett

(2026)

3064

(doi: 10.1021/acs.nanolett.5c05893)

Dissecting the Binding Interactions of the Chromatin Remodeler SMARCA4 with G‑Quadruplex DNA

SK Madden, D Tannahill, S Balasubramanian

Biochemistry

(2026)

670

(doi: 10.1021/acs.biochem.5c00750)

Emergent Polar Metal Phase in a Van der Waals Mott Magnet

S Deng, MJ Coak, CRS Haines, H Hamidov, GI Lampronti, DM Jarvis, X Zhang, C Liu, D Daisenberger, MR Warren, TC Hansen, S Klotz, C Kim, P Yang, B Wang, J Cheng, J-G Park, AR Wildes, SS Saxena

(2026)

(doi: 10.48550/arxiv.2501.13635)

Accelerating CCSD(T) on Graphical Processing Units (GPUs).

OJ Fajen, JE Kelly, EG Hohenstein, TJ Martinez

The journal of physical chemistry. A

(2026)

130

2225

(doi: 10.1021/acs.jpca.5c08113)

Peptide cages: bioinspired supramolecular architectures for next-generation applications.

S Adorinni, H Xu, JR Nitschke, S Marchesan

Chemical Science

(2026)

6301

(doi: 10.1039/d5sc08607h)

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

J Chem Inf Model

(2026)

3129

(doi: 10.1021/acs.jcim.5c02106)

Influence of Liquid on Crystallite Size Evolution During Ball Milling

ME Charlesworth, GI Lampronti, AM Belenguer, S Day, LK Saunders, ET Connolly, PA Midgley, AAL Michalchuk

Crystal Growth & Design

(2026)

2339

(doi: 10.1021/acs.cgd.5c01662)

CO₂, N₂ and H₂ adsorption in Zn²⁺-containing zeolites and metal-organic frameworks

PP Samal, F Berger, S Krishnamurty, J Sauer