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  • Currently displaying 21 - 40 of 31822 publications
Author(s)
Publication title
Journal Name
Publication year
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
(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
Journal of Chemical Physics
(2026)
165
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
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
Tensor-reduced atomic density representations
JP Darby, DP Kovács, I Batatia, MA Caro, GLW Hart, C Ortner, G Csányi
(2026)
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 Res
(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
Stable deep-blue organic light-emitting diodes with reduced efficiency roll-off via accelerated exciton utilization
T Huang, H Zhang, Q Wang, B Li, M Mai, Y Xiao, H Bronstein, R Friend, L Duan, D Zhang
Nature Photonics
(2026)
Zatom-2: Multitask Pretraining on Atomistic Data for Generative Modeling across Domains
M Cretu, A Abrudan, A Panescu, T Perez, R Anand, NB Erichson, MW Mahoney, S Blau, J Jacobson, R Gómez-Bombarelli, R Ying, T Knowles, P Liò, A Morehead
(2026)
Selective Ligand Replacement Leads to Carbene Complexes as Catalysts in Proteins
A Albert Flores, MG Wheeler, OJ Klein, GS Biggs, J Shaw, J Bostock, V Daramy-Williams, M Lambert, N Usselmann, AD Bond, SR Boss, PD Barker
(2026)
Noncentrosymmetric Manganese Bismuth Thiocyanate Perovskites
M Geers, DJ Kubicki, SP Argent, JP Tidey, E Salager, BB Duff, O Fabelo, L Cañadillas-Delgado, MJ Cliffe
Chemistry of Materials
(2026)
The AML-Associated A338V Mutation Rewires GPR183 Signaling through C‑Terminal Ensemble Redistribution
L Andersson, PA Wesołowski, L Jahrstorfer, AD Rosa, T Heger, V Neuman, AK Sieradzan, DJ Wales, P Kozielewicz
J Am Chem Soc
(2026)
148
Design and synthesis of bioactive molecules.
F Zhang, DR Spring
Beilstein J Org Chem
(2026)
22
How Good Is DFT for Solid-Liquid Interfaces? A Comparison With the Random-Phase Approximation for Water on Graphene
XR Advincula, Y Litman, J Shi, F Della Pia, C Schran, A Michaelides
(2026)
RNA Synthesis and Degradation Regulate Biomolecular Condensates through Nonequilibrium Feedback.
I Sanchez-Burgos, AR Tejedor, A Ocana, JR Espinosa, R Collepardo-Guevara
ACS Central Science
(2026)
12
Incommensurate Structural and Magnetic Modulations in Potassium-Rich Cryptomelane, K x Mn8O16 (x ≈ 1.45)
LAV Nagle-Cocco, JD Bocarsly, K Sada, ND Kelly, MA Kiefer, E Suard, SJ Day, C Liu, CP Grey, P Barpanda, C Ritter, SE Dutton
Chem Mater
(2026)
38
WNT/β-catenin increases 3D chromatin mobility and reorganisation during posterior cell state transitions
AAM Wurmser, L Mao, N Markevych, GG Agsu, Y Cao, Z Zhang, M Jonaitis, N De Winter, BD Simons, MM Pradeepa, D Holcman, TE Boroviak, D Klenerman, S Samarajiwa, S Basu
(2026)
Efficient Searches for Low-Energy Structures in Clusters with Thousands of Particles: Application to the Thomson Problem
P Amore, DJ Wales
(2026)