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  • Currently displaying 21 - 40 of 31858 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)
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
(2026)
123
Protein Language Model Guided Optimization for AAV Capsid Design
L Colwell
Nature Biotechnology
(2026)
Challenging Atomistic Foundation Models on Disordered Carbons
J Hart, SGH Brookes, FL Thiemann, C Schran
(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
J Phys Chem B
(2026)
130
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)
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
EMBO Journal
(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)
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)
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)
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 (Basel)
(2026)
15
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)
Noise-resilient training of machine learning interatomic potentials
TCW Lam, N O'Neill, C Schran, LL Schaaf
The Journal of Chemical Physics
(2026)
165
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)
Tensor-reduced atomic density representations
JP Darby, DP Kovács, I Batatia, MA Caro, GLW Hart, C Ortner, G Csányi
(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
Reassessing Methanesulfonic Acid as a Sea Ice Pr 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
The Journal of Physical Chemistry C
(2026)
130