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  • Currently displaying 1841 - 1860 of 30147 publications
Author(s)
Publication title
Journal Name
Publication year
Van Vleck analysis of angularly distorted octahedra using VanVleckCalculator
LAV Nagle-Cocco, SE Dutton
J Appl Crystallogr
(2024)
57
Sequence-Based Drug Design Using Transformers
M Vendruscolo, S Zhang, D Huo, R Horne, Y Qi, SP Ojeda, A Yan
(2024)
The pioneer transcription factor Oct4 alters chromatin packing
JH Martin, MJ Maristany, R Collepardo-Guevara
Biophysical Journal
(2024)
123
Mechanical properties of DNA govern nucleosome unwrapping
MJ Maristany, IP Lopez, JH Martin, R Collepardo-Guevara
Biophysical Journal
(2024)
123
Configuration of Ammonia on Cu{311}: Infrared Spectroscopy and First-Principles Theory
K Sitathani, I Temprano, SJ Jenkins
Journal of Chemical Physics
(2024)
160
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
ML Evans, J Bergsma, A Merkys, CW Andersen, OB Andersson, D Beltrán, E Blokhin, TM Boland, RC Balderas, K Choudhary, AD Díaz, RD García, H Eckert, K Eimre, MEF Montero, AM Krajewski, JJ Mortensen, JMN Duarte, J Pietryga, J Qi, FDJT Carrillo, A Vaitkus, J Yu, A Zettel, PBD Castro, J Carlsson, TFT Cerqueira, S Divilov, H Hajiyani, F Hanke, K Jose, C Oses, J Riebesell, J Schmidt, D Winston, C Xie, X Yang, S Bonella, S Botti, S Curtarolo, C Draxl, LEF Cobas, A Hospital, Z-K Liu, MAL Marques, N Marzari, AJ Morris, SP Ong, M Orozco, KA Persson, KS Thygesen, C Wolverton, M Scheidgen, C Toher, GJ Conduit, G Pizzi, S Gražulis, G-M Rignanese, R Armiento
(2024)
Van Vleck analysis of angularly distorted octahedra using VanVleckCalculator
LAV Nagle-Cocco, SE Dutton
Journal of Applied Crystallography
(2024)
57
Molecular chaperones and their role in amyloid formation
MM Schneider, A Bracher, EA Andrzejewska, G Krainer, L-U Lin, R Riek, U Hartl, TPJ Knowles
Biophysical Journal
(2024)
123
How do cicadas emerge together Thermophysical aspects of their collective decision-making
RE Goldstein, RL Jack, AI Pesci
Physical Review E
(2024)
109
PyTASER: Simulating transient absorption spectroscopy (TAS) for crystals from first principles
S Aggarwal, SR Kavanagh, YW Woo, LG Verga, AM Ganose, A Walsh
Journal of Open Source Software
(2024)
9
Thermodynamics of temperature modulation in biomolecular phase separation
CM Fischer, H Ausserwöger, T Sneideris, D Qian, R Scrutton, S Qamar, P St George-Hyslop, TP Knowles
Biophysical Journal
(2024)
123
kinisi: Bayesian analysis of mass transport from molecular dynamics simulations
AR McCluskey, AG Squires, J Dunn, SW Coles, BJ Morgan
The Journal of Open Source Software
(2024)
9
Charge-Dependent Crossover in Aqueous Organic Redox Flow Batteries Revealed Using Online NMR Spectroscopy
EJ Latchem, T Kress, PAA Klusener, RV Kumar, AC Forse
The journal of physical chemistry letters
(2024)
15
Imaging Aβ aggregation by liquid-phase transmission electron microscopy
G Ing, S Acosta-Gutiérrez, M Vendruscolo, G Battaglia, L Ruiz-Pérez
(2024)
Equivariant Matrix Function Neural Networks
I Batatia, LL Schaaf, H Chen, G Csányi, C Ortner, FA Faber
(2024)
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
HGA Burton, P-F Loos
(2024)
Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments
M Vendruscolo, M Milanesi, ZF Brotzakis
(2024)
The Development and Application of Ultra-sensitive Protein Aggregate Detection Techniques
Z Xia
(2024)
Solar reforming as an emerging technology for circular chemical industries
S Bhattacharjee, S Linley, E Reisner
Nat Rev Chem
(2024)
8
Materials for stable metal-oxygen battery cathodes: general discussion.
GA Attard, EJ Calvo, LA Curtiss, D Dewar, JHJ Ellison, X Gao, CP Grey, LJ Hardwick, G Horwitz, J Janek, LR Johnson, JW Jordan, S Matsuda, S Mondal, AR Neale, N Ortiz-Vitoriano, I Temprano, G Vailaya, ED Wachsman, H-H Wang, Y Wu, S Ye
Faraday Discuss
(2024)
248