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Currently displaying 1141 - 1160 of 30204 publications

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

The Journal of chemical physics

(2024)

161

224706

(doi: 10.1063/5.0239452)

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)

(doi: 10.26434/chemrxiv-2024-jjns1-v2)

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)

125002

(doi: 10.1088/1361-6595/ad934f)

Introduction to machine learning potentials for atomistic simulations

FL Thiemann, N O'Neill, V Kapil, A Michaelides, C Schran

J Phys Condens Matter

(2024)

073002

(doi: 10.1088/1361-648X/ad9657)

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

117322

(doi: 10.1016/j.poly.2024.117322)

Studies on approaches for sequencing cytosine modifications and the identification of their protein readers

JM Edgerton

(2024)

(doi: 10.17863/CAM.116687)

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)

e2411021

(doi: 10.1002/smll.202411021)

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)

ugae022

(doi: 10.1093/narmme/ugae022)

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)

254

(doi: 10.1038/s41592-024-02528-8)

Advancing Bioactivity Prediction Through Molecular Docking and Self-Attention

Y Yin, HYI Lam, Y Mu, H-Y Li, AW-K Kong

IEEE Journal of Biomedical and Health Informatics

(2024)

7599

(doi: 10.1109/jbhi.2024.3448455)

Intermolecular Asymmetric Arylative Dearomatization of 1-Naphthols.

M Kadarauch, TA Moss, RJ Phipps

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

A Climent-Catala, MI Sanchez

Current opinion in chemical biology

(2024)

102547

(doi: 10.1016/j.cbpa.2024.102547)

Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl2(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

Chemical communications (Cambridge, England)

(2024)

14427

(doi: 10.1039/d4cc04214j)

Semiartificial Photosynthetic Nanoreactors for H2 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

34260

(doi: 10.1021/jacs.4c12311)

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)

(doi: 10.1101/2024.10.28.620643)