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  • Currently displaying 21 - 40 of 31857 publications
Author(s)
Publication title
Journal Name
Publication year
Strain-Dependent Wetting of Graphene
DW Lim, XR Advincula, WC Witt, A Michaelides, FL Thiemann, C Schran
(2026)
Spatiotemporal Imaging of Thermally Driven Metal-Insulator Phase Domain Propagation in VO2
I Delbono, R Amara, M Feldman, H Yang, C Leau, C Scian, E Dandeu, S Royer, D Pierucci, E Lhuillier, F Vidal, T Cesca, HB de Aguiar, J Ordonez-Miranda, D Fournier, R Pandya, B Kalinic, G Mattei, JK Utterback
(2026)
Protein Language Model Guided Optimization for AAV Capsid Design
L Colwell
Nature Biotechnology
(2026)
Unique features of EIGHT fold-Proteins with the most complex 83 knotted topology
M Mozajew, M Sikora, M Fortunka, AP Perlinska, A Kluza, S Niewieczerzal, FB da Silva, M Lukaszewicz, JA Sikorska, LJ Mikulska, SE Jackson, JI Sulkowska
Proceedings of the National Academy of Sciences of the United States of America
(2026)
123
Challenging Atomistic Foundation Models on Disordered Carbons
J Hart, SGH Brookes, FL Thiemann, C Schran
(2026)
A fast summation method for the DFT-D3 dispersion correction
V Valeeva, CH Ho, M Geiger, F Pellegrini, G Csányi, E Kucukbenli, C Ortner
(2026)
Molecular Origins of Catalysis in Random Heteropolymer Enzyme Mimics through All-Atom Simulations.
SL Hilburg, Z Han, T Jin, P Ganesh, H Yu, P Kang, T Xu, A Alexander-Katz
The Journal of Physical Chemistry B
(2026)
130
Evaluating low-cost NDIR CO2 sensors for atmospheric observations in rural settings
O Popoola, P Cicuta, RH Georgiou, L Tom, R Freshwater, K Leet, C Giorio
Atmospheric Measurement Techniques
(2026)
pymatgen: 15 years of community growth, new functionality, and future prospects
J George, MK Horton, AD Kaplan, SR Kavanagh, J Riebesell, AS Rosen, H Yang, F Adams, M Amachraa, O Andriuc, OA Ashour, S Bajaj, E Banyas, L Barroso-Luque, K Berket, N Bernstein, A Bhardwaj, AHU Bhatti, SM Blau, B Bocklund, A Bonkowski, D Broberg, G Brunin, K Bystrom, CA Cardot, R Chang, C Chen, W Chen, X Chen, Y Chiang, K Choudhary, OA Cohen, MD Costa, ST Dacek, MD Jong, T Demeyere, AK Dozier, A Dunn, S Dwaraknath, MT Dylla, K Eimre, AR Epstein, C Ertural, M Esters, ML Evans, J Falke, A Fekete, B Field, A Fonari, NC Frey, DW Gaines, AM Ganose, M Giantomassi, REA Goodall, P-F Gostin, A Gupta, V-A Ha, G Hautier, N Heinsdorf, MF Herbst, T Hou, P Huck, Y Ikeda, AJ Jackson, S Jayaraman, FR Kearns, S Kim, RS Kingsbury, AM Krajewski, Y Kumagai, MC Kuner, WT Laderer, W Li, X-G Li, YH Liang, H Liu, K Liu, M Liu, A Lutfi, O Marchand, MJ McDermott, BK Medasani, F Meng, KD Miller, H Miranda, RS Mohanakrishnan, JH Montoya, GC Moore, BJ Morgan, JM Munro, K Muraoka, AA Naik, W O'Leary, A Onwuli, J Park, DF Parsons, K Pei, G Petretto, TAR Purcell, J Qi, X Qu, I Radchenko, NN Rajput, F Ricci, BS Rich, WD Richards, G-M Rignanese, X Ruan, GS Vallverdu, J Schmidt, J-X Shen, R Shimogawa, K Shinohara, AK Singh, E Sivonxay, S Smeets, TE Smidt, A Sobolev, EWC Spotte-Smith, C Stihl, W Sun, JD Sundberg, Y Suzuki, L Talirz, H Tang, E Taw, C Tezak, F Therrien, SD Thiel, SB Torrisi, ME Turiansky, K Ueltzen, MJV Setten, J Vieten, S Vijay, N Wagner, F Wan, A Wang, J Wang, Z Wang, L Ward, T Warford, D Waroquiers, M Wen, O Weser, N Winner, D Winston, M Wolloch, BM Wood, R Woods-Robinson, Y Xiao, Y Xie, F Yalcin, RX Yang, W Ye, P Zarabadi-Poor, J Zeng, H Zhao, K Zheng, H Zhu, Z Zhu, NER Zimmermann, D Zügner, KA Persson, A Jain, SP Ong
(2026)
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
The EMBO Journal
(2026)
Atomic functional site scaffolding in biopolymers with RFdiffusion3.
J Butcher, R Krishna, R Mitra, SM Woodbury, D Kim, RI Brent, Y Li, N Corley, A Favor, A Chen, PT Kim, J Funk, GB Reinoso, K Wu, A Muraishi, HE Eisenach, S Salike, S Mathis, TR Thompson, A Ruder, E Sehgal, A Kubaney, J Chen, Y Politanska, B Coventry, O Zhang, FJ Hardy, B Qiang, K Didi, M Kazman, LL Schaaf, F DiMaio, D Baker
Science
(2026)
De novo design of cysteine proteases
H Choi, MS Bauer, B Coventry, P Venkatesh, A Chen, D Kim, AK Bera, A Kang, H Nguyen, S Sadre, J Decarreau, E Joyce, B Shankaran, TR Thompson, G Greenstein, K Didi, LL Schaaf, JM Gershon, AF Shida, GR Lee, D Hilvert, SJ Pellock, D Baker
Nature
(2026)
Computational design of metalloproteases.
A Chen, K Wu, H Choi, P Venkatesh, SJ Pellock, N Hanikel, H Shin, D Evans, K Didi, LL Schaaf, C Díaz-Perlas, B Coventry, D Kim, SM Woodbury, P Ji, S Honda, AK Bera, H Nguyen, A Kang, Y Wang, X Li, S Gerben, L Chang, X Yan, B Oller-Salvia, AA Hyman, D Hilvert, D Baker
Nature
(2026)
Nephrolepis cordifolia Extracts Attenuate Calcium Oxalate Nephrolithiasis Through Redox Modulation and Suppression of Crystal Retention
J Guo, L Yao, J Liu, H Liu, Q Li, Z Li, Y Li
Antioxidants
(2026)
15
Bifunctional Phagocytic Synapse Enhancers Remodel the Tumor Microenvironment to Overcome Immunosuppression
V Sabatino, C Tang, RC Acúrcio, AR Coelho, FM Müller, M Fontes, WT Khaw, C Labão-Almeida, DR Hicks, W Yang, A Vasco Vidal, I Sarkar, D Shome, M Cabeza-Cabrerizo, TV Rohm, S Fleisch, A Gerber, SA Hogan, F Gerster, D Kaymak, S Pantelyushin, J Vom Berg, L Li, RM Reijmers, R Fior, D Baker, HF Florindo, G Hutter, GJL Bernardes
Cancer research
(2026)
Assessment of an updated polar stratospheric cloud parameterisation for the UK Earth System Model (UKESM1.1) within the UK Met Office Unified Model (v13.9) using CALIOP and MLS observations
I Sangha, NL Abraham, A Orr, H Lu, MC Pitts, LR Poole, M Weimer
Geoscientific Model Development
(2026)
19
Noise-resilient training of machine learning interatomic potentials
TCW Lam, N O'Neill, C Schran, LL Schaaf
Journal of Chemical Physics
(2026)
165
Tensor-reduced atomic density representations
JP Darby, DP Kovács, I Batatia, MA Caro, GLW Hart, C Ortner, G Csányi
(2026)
Reassessing Methanesulfonic Acid as a Sea Ice Proxy: An Example From the Weddell Sea Sector
RM Smith, ZC Weich, C Giorio, CS Allen, ER Thomas
Geophysical Research Letters
(2026)
53
Probing Lithium Metal Microstructures with Dynamic Nuclear Polarization from Lithium Metal
M Juramy, T Insinna, SA Maldonado-Ochoa, Z Poujol, G Horwitz, CP Grey
Journal of Physical Chemistry C
(2026)
130