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- Currently displaying 821 - 840 of 29308 publications
Author Correction: Cell Painting: a decade of discovery and innovation in cellular imaging.
Nature methods
(2024)
22
447
(doi: 10.1038/s41592-024-02578-y)
Efficient Composite Infrared Spectroscopy: Combining the Double-Harmonic Approximation with Machine Learning Potentials
Journal of chemical theory and computation
(2024)
20
10986
(doi: 10.1021/acs.jctc.4c01157)
Ferrocene-Functionalized Atomically Precise Metal Clusters Exhibit Synergistically Enhanced Performance for CO2 Electroreduction.
Angewandte Chemie International Edition
(2024)
64
e202418264
(doi: 10.1002/anie.202418264)
Pd-Catalyzed C-H Activation vs β-H Elimination: An Experimental and Computational Insight into the Reactivity of Tertiary Alkylamines
ACS Catalysis
(2024)
14
18831
(doi: 10.1021/acscatal.4c06160)
Tensor Train Optimization for Conformational Sampling of Organic Molecules
(2024)
On the increase of the melting temperature of water confined in one-dimensional nano-cavities
Journal of Chemical Physics
(2024)
161
224706
(doi: 10.1063/5.0239452)
Studies on approaches for sequencing cytosine modifications and the identification of their protein readers
(2024)
(doi: 10.17863/CAM.116687)
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)
Introduction to machine learning potentials for atomistic simulations
Journal of physics. Condensed matter : an Institute of Physics journal
(2024)
37
073002
(doi: 10.1088/1361-648X/ad9657)
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)
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)
High-affinity A/T-rich DNA binding with a dimeric bisbenzamidine.
NAR molecular medicine
(2024)
1
ugae022
(doi: 10.1093/narmme/ugae022)
Cell Painting: a decade of discovery and innovation in cellular imaging
Nature Methods
(2024)
22
254
(doi: 10.1038/s41592-024-02528-8)
A Molecular Catalyst-Driven Sustainable Zinc-Air Battery Assembly.
Small (Weinheim an der Bergstrasse, Germany)
(2024)
21
e2411021
(doi: 10.1002/smll.202411021)
Intermolecular Asymmetric Arylative Dearomatization of 1‑Naphthols
J Am Chem Soc
(2024)
146
34970
(doi: 10.1021/jacs.4c14754)
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)
Estimation of ligand binding free energy using multi-eGO.
(2024)
Semiartificial Photosynthetic Nanoreactors for H2 Generation
J Am Chem Soc
(2024)
146
34260
(doi: 10.1021/jacs.4c12311)
Fragment-based development of small molecule inhibitors targeting Mycobacterium tuberculosis cholesterol metabolism
(2024)
(doi: 10.1101/2024.10.28.620643)