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  • Currently displaying 361 - 380 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World.
S Seal, M Mahale, M García-Ortegón, CK Joshi, L Hosseini-Gerami, A Beatson, M Greenig, M Shekhar, A Patra, C Weis, A Mehrjou, A Badré, B Paisley, R Lowe, S Singh, F Shah, B Johannesson, D Williams, D Rouquie, D-A Clevert, P Schwab, N Richmond, CA Nicolaou, RJ Gonzalez, R Naven, C Schramm, LR Vidler, K Mansouri, WP Walters, DD Wilk, O Spjuth, AE Carpenter, A Bender
Chemical Research in Toxicology
(2025)
38
Allosteric regulation in metal-organic cages
Y Yang, Y Du, AW Heard, JR Nitschke
Nature Synthesis
(2025)
4
Prediction of Antibody Non-Specificity using Protein Language Models and Biophysical Parameters
LI Sakhnini, L Beltrame, S Fulle, P Sormanni, A Henriksen, N Lorenzen, M Vendruscolo, D Granata
(2025)
A single fibril study reveals that ApoE inhibits the elongation of Aβ42 fibrils in an isoform-dependent manner.
S Dasadhikari, S Ghosh, S Pal, TPJ Knowles, K Garai
Commun Chem
(2025)
8
Conformational Pruning via the Permutation Invariant Root-Mean-Square Deviation of Atomic Positions
P Pracht
J Chem Inf Model
(2025)
65
Solvation energies from atomic surface site interaction points
E Gross, MD Driver, A Saif, ON Evans, CA Hunter
Physical chemistry chemical physics : PCCP
(2025)
27
Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions
K Nakano, BX Shi, D Alfè, A Zen
Journal of chemical theory and computation
(2025)
21
Cellulose nanocrystals as a candidate for solar geoengineering
D Warnes
(2025)
Single-molecule profiling of tau aggregates in tauopathies: From test tube to patient
D Böken
(2025)
Breaking Supercapacitor Symmetry Enhances Electrochemical Carbon Dioxide Capture.
Z Xu, X Liu, G Mapstone, Z Coady, C Seymour, SE Wiesner, S Menkin, AC Forse
Journal of the American Chemical Society
(2025)
147
Proton-driven lithium separation using alkali-templated coordination cages
X Sun, K Wu, PCP Teeuwen, P Pracht, DJ Wales, JR Nitschke
Chem
(2025)
11
Protons accumulate at the graphene-water interface
XR Advincula, KD Fong, A Michaelides, C Schran
ACS Nano
(2025)
19
Supramolecular Conductive Hydrogels With Homogeneous Ionic and Electronic Transport
SJK O'Neill, M Ashizawa, AM McLean, RR-M Serrano, T Shimura, M Agetsuma, M Tsutsumi, T Nemoto, CDJ Parmenter, JA McCune, GG Malliaras, N Matsuhisa, OA Scherman
Advanced materials (Deerfield Beach, Fla.)
(2025)
37
Rational design of single-domain antibodies targeting the central nervous system neurite outgrowth inhibitor Nogo-A
VR Chowdhury, A Röntgen, M Greenig, YM Gómez, SP Spiegel, M Nowinska, A Ramon, P Sormanni, A Chan, M Vendruscolo
Applied Research
(2025)
4
Development, uncertainty quantification, and reduction of a dimethyl sulfide oxidation mechanism
LSD Jacob
(2025)
Dome-like pressure-temperature phase diagram of the cooperative Jahn–Teller distortion in NaNiO2
LAV Nagle-Cocco, JMA Steele, S Deng, X Zhang, D Daisenberger, AR Genreith-Schriever, SS Saxena, CP Grey, SE Dutton
Journal of Physics: Condensed Matter
(2025)
37
Solid-State Nuclear Magnetic Resonance Investigations of the Lithium- and Sodium-Storage Mechanisms of Pyrolytic Phosphorus-Carbon Composites
C Clark, CA O'Keefe, DS Wright, CP Grey
Chemsuschem
(2025)
18
Selective Block Copolymerization of Lactide and Methyl Methacrylate with Cationic Indium Catalysts: Exploring the Influence of Noncovalent Ligand Interactions
JW-L Poon, Y Kuang, N Moradinik, C Goonesinghe, SH Rushdy, J Chang, T Iwase, M Ezhova, SG Hatzikiriakos, JP Reid, P Mehrkhodavandi
ACS Catalysis
(2025)
15
Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
R Eapen, C Okoye, C Stubbs, M Schimpl, T Tischer, EJ Fisher, M Zacharopoulou, F Ferrer, D Barford, D Spring, C Lindon, C Phillips, LS Itzhaki
(2025)
Sol-Gel-Derived Transparent Amino-Modified UiO-66 MOF Porous Films as Promising Photonic Platforms
W Ge, H Zheng, F Zhou, Q Yue, C Chen, T Chen, W Zhang, G Zhang, D Shi, AEH Wheatley, X Duan, J He
ACS Applied Optical Materials
(2025)
3