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  • Currently displaying 1441 - 1460 of 30825 publications
Author(s)
Publication title
Journal Name
Publication year
Development of an Automated Workflow for Screening the Assembly and Host-Guest Behaviour of Metal-Organic Cages towards Accelerated Discovery
A Basford, AH Bernardino, P Teeuwen, B Egleston, J Humphreys, K Jelfs, J Nitschke, I Riddell, R Greenaway
(2024)
Pd-Catalyzed C–H Activation vs β‑H Elimination: An Experimental and Computational Insight into the Reactivity of Tertiary Alkylamines
J Rodrigalvarez, MJ Gaunt
ACS Catalysis
(2024)
14
On the increase of the melting temperature of water confined in one-dimensional nano-cavities
F Della Pia, A Zen, V Kapil, FL Thiemann, D Alfè, A Michaelides
J Chem Phys
(2024)
161
Tensor Train Optimization for Conformational Sampling of Organic Molecules
C Zurek, RA Mallaev, A Paul, N van Staalduinen, P Pracht, R Ellerbrock, C Bannwarth
(2024)
Enantiospecific Synthesis of Planar Chiral Rhodium and Iridium Cyclopentadienyl Complexes: Enabling Streamlined and Computer-Guided Access to Highly Selective Catalysts for Asymmetric C–H Functionalizations
YS Ye, A Laverny, MD Wodrich, R Laplaza, F Fadaei-Tirani, R Scopelliti, C Corminboeuf, N Cramer
J Am Chem Soc
(2024)
146
Sequence-selective pulldown of recognition-encoded melamine oligomers using covalent capture on a solid support †
resid: I-8060-2017, D Sun, M Dhiman, CA Hunter
(2024)
Introduction to machine learning potentials for atomistic simulations
FL Thiemann, N O'Neill, V Kapil, A Michaelides, C Schran
Journal of physics. Condensed matter : an Institute of Physics journal
(2024)
37
Studies on approaches for sequencing cytosine modifications and the identification of their protein readers
JM Edgerton
(2024)
The role of Li•••F interactions in lithium and heterobimetallic lithium-magnesium complexes of the hexafluoroisopropoxide anion
A Terzopoulos, RM Fonseca, AD Bond, CP Grey, DS Wright
Polyhedron
(2024)
267
Measurements of N2+ ions in an inductively coupled plasma using saturated cavity ringdown spectroscopy
SDA Rogers, C Kniebe-Evans, R Peverall, G Hancock, BJ Rhodes, GAD Ritchie
Plasma Sources Science and Technology
(2024)
33
High-affinity A/T-rich DNA binding with a dimeric bisbenzamidine.
D Bouzada, A Paul, MI Sánchez, B Domínguez-Asenjo, E Lence, M Melle-Franco, A Ardá, N Barreiro-Piñeiro, C Penas, J Gómez-González, J Jiménez-Barbero, J Moreno, C González-Bello, WD Wilson, JL Mascareñas, ME Vázquez
NAR Molecular Medicine
(2024)
1
Advancing Bioactivity Prediction Through Molecular Docking and Self-Attention.
Y Yin, HYI Lam, Y Mu, H-Y Li, AW-K Kong
IEEE J Biomed Health Inform
(2024)
28
Cell Painting: a decade of discovery and innovation in cellular imaging
S Seal, M-A Trapotsi, O Spjuth, S Singh, J Carreras-Puigvert, N Greene, A Bender, AE Carpenter
Nature methods
(2024)
22
A Molecular Catalyst‐Driven Sustainable Zinc‐Air Battery Assembly
S Saha, S Mitra, YP Kharwar, HV Annadata, S Roy, A Dutta
Small (Weinheim an der Bergstrasse, Germany)
(2024)
21
Development of novel indicators and molecular systems for calcium sensing through protein engineering
A Climent-Catala, MI Sanchez
Curr Opin Chem Biol
(2024)
84
Intermolecular Asymmetric Arylative Dearomatization of 1-Naphthols
M Kadarauch, TA Moss, RJ Phipps
J Am Chem Soc
(2024)
146
Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal–organic magnet NiCl 2 (btd) 1−x (bod) x
E Myatt, S Lata, J Pitcairn, D Daisenberger, SM Kronawitter, SA Hallweger, G Kieslich, SP Argent, JP Tidey, MJ Cliffe
Chem Commun (Camb)
(2024)
60
Semiartificial Photosynthetic Nanoreactors for H<sub>2</sub> Generation.
H Zhang, J Jaenecke, IL Bishara-Robertson, C Casadevall, HJ Redman, M Winkler, G Berggren, N Plumeré, JN Butt, E Reisner, LJC Jeuken
J Am Chem Soc
(2024)
146
Fragment-based development of small molecule inhibitors targeting Mycobacterium tuberculosis cholesterol metabolism
ME Kavanagh, KJ McLean, SH Gilbert, C Amadi, M Snee, RB Tunnicliffe, K Arora, HI Boshoff, A Fanourakis, MJ Rebello-Lopez, F Ortega-Muro, CW Levy, AW Munro, D Leys, C Abell, AG Coyne
(2024)
High Pressure Conformational Sampling
F Zeller, P Pracht, T Neudecker
(2024)