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- Currently displaying 1061 - 1080 of 30057 publications
Tensor Train Optimization for Conformational Sampling of Organic Molecules
(2024)
The role of Li•••F interactions in lithium and heterobimetallic lithium-magnesium complexes of the hexafluoroisopropoxide anion
Polyhedron
(2024)
267
117322
(doi: 10.1016/j.poly.2024.117322)
Studies on approaches for sequencing cytosine modifications and the identification of their protein readers
(2024)
(doi: 10.17863/CAM.116687)
Introduction to machine learning potentials for atomistic simulations.
J Phys Condens Matter
(2024)
37
073002
(doi: 10.1088/1361-648X/ad9657)
Measurements of N2+ ions in an inductively coupled plasma using saturated cavity ringdown spectroscopy
Plasma Sources Science and Technology
(2024)
33
125002
(doi: 10.1088/1361-6595/ad934f)
A Molecular Catalyst‐Driven Sustainable Zinc‐Air Battery Assembly
Small
(2024)
21
e2411021
(doi: 10.1002/smll.202411021)
Advancing Bioactivity Prediction Through Molecular Docking and Self-Attention.
IEEE journal of biomedical and health informatics
(2024)
28
7599
(doi: 10.1109/jbhi.2024.3448455)
Cell Painting: A Decade of Discovery and Innovation in Cellular Imaging
Nature methods
(2024)
22
254
(doi: 10.1038/s41592-024-02528-8)
High-affinity A/T-rich DNA binding with a dimeric bisbenzamidine.
NAR molecular medicine
(2024)
1
ugae022
(doi: 10.1093/narmme/ugae022)
Development of novel indicators and molecular systems for calcium sensing through protein engineering
Current opinion in chemical biology
(2024)
84
102547
(doi: 10.1016/j.cbpa.2024.102547)
Intermolecular Asymmetric Arylative Dearomatization of 1-Naphthols.
J Am Chem Soc
(2024)
146
34970
(doi: 10.1021/jacs.4c14754)
Fragment-based development of small molecule inhibitors targeting Mycobacterium tuberculosis cholesterol metabolism.
(2024)
(doi: 10.1101/2024.10.28.620643)
Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal–organic magnet NiCl 2 (btd) 1−x (bod) x
Chemical communications (Cambridge, England)
(2024)
60
14427
(doi: 10.1039/d4cc04214j)
Semiartificial Photosynthetic Nanoreactors for H2 Generation.
J Am Chem Soc
(2024)
146
34260
(doi: 10.1021/jacs.4c12311)
Estimation of ligand binding free energy using multi-eGO.
(2024)
Synthesis of high-performance photocatalysts for solar-driven hydrogen production and carbon dioxide reduction
Carbon Future
(2024)
1
9200025
(doi: 10.26599/cf.2024.9200025)
Closed-loop photo- and electrocatalysis using floatable hierarchical hydrogel device for efficient waste-derived fuel production
Device
(2024)
2
100515
(doi: 10.1016/j.device.2024.100515)
Reform or transform? A spectrum of stances towards the economic status quo within 'new economics' discourses
Global Social Challenges Journal
(2024)
3
382
Improving ligand discovery using deep learning on three-dimensional structural data
(2024)
(doi: 10.17863/CAM.119823)