Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 2021 - 2040 of 30391 publications
Author(s)
Publication title
Journal Name
Publication year
kinisi: Bayesian analysis of mass transport from molecular dynamics simulations
AR McCluskey, AG Squires, J Dunn, SW Coles, BJ Morgan
Journal of Open Source Software
(2024)
9
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank
S Seal, O Spjuth, L Hosseini-Gerami, M García-Ortegón, S Singh, A Bender, AE Carpenter
Journal of Chemical Information and Modeling
(2024)
64
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
How do cicadas emerge together? Thermophysical aspects of their collective decision-making
RE Goldstein, RL Jack, AI Pesci
Phys Rev E
(2024)
109
Configuration of ammonia on Cu{311}: Infrared spectroscopy and first-principles theory
K Sitathani, I Temprano, SJ Jenkins
Journal of Chemical Physics
(2024)
160
Mechanical properties of DNA govern nucleosome unwrapping
MJ Maristany, IP Lopez, JH Martin, R Collepardo-Guevara
Biophysical Journal
(2024)
123
Sequence-Based Drug Design Using Transformers
M Vendruscolo, S Zhang, D Huo, R Horne, Y Qi, SP Ojeda, A Yan
(2024)
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
Imaging Aβ aggregation by liquid-phase transmission electron microscopy
G Ing, S Acosta-Gutiérrez, M Vendruscolo, G Battaglia, L Ruiz-Pérez
(2024)
Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments
M Vendruscolo, M Milanesi, ZF Brotzakis
(2024)
Equivariant Matrix Function Neural Networks
I Batatia, LL Schaaf, H Chen, G Csányi, C Ortner, FA Faber
(2024)
The Development and Application of Ultra-sensitive Protein Aggregate Detection Techniques
Z Xia
(2024)
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
HGA Burton, P-F Loos
(2024)
Solar reforming as an emerging technology for circular chemical industries.
S Bhattacharjee, S Linley, E Reisner
Nature reviews. Chemistry
(2024)
8
Towards practical metal–oxygen batteries: general discussion
LA Archer, PG Bruce, EJ Calvo, D Dewar, JHJ Ellison, SA Freunberger, X Gao, LJ Hardwick, G Horwitz, J Janek, LR Johnson, JW Jordan, S Matsuda, S Menkin, S Mondal, Q Qiu, T Samarakoon, I Temprano, K Uosaki, G Vailaya, ED Wachsman, Y Wu, S Ye
Faraday Discussions
(2024)
248
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 Discussions
(2024)
248
Engineering considerations for practical lithium-air electrolytes.
JHJ Ellison, CP Grey
Faraday Discuss
(2024)
248
Solvent-dependent iodide interactions in LiO2 electrolytes - a molecular dynamics study.
E Jónsson, AH Berge, CP Grey, I Temprano
Faraday Discuss
(2024)
248
Synthesis and Structure-Activity Relationship Studies of Dioxane- and Oxathiane-Based Analogs of (–)-Zampanolide
E Cotter, S Glauser, A Lelke, P Scapozza, S Berardozzi, D Lucena-Agell, R Hortigüela, M Oliva, JF Díaz, K-H Altmann
(2024)
Input and output files supporting Extension, Development and Evaluation of the representation of the OH-initiated DMS oxidation mechanism in the MCM v3.3.1 framework
L Jacob, C Giorio, A Archibald
(2024)