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Molecular structure

Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores

Dian Alwani Zainuri, Mundzir Abdullah, [ ... ], Ibrahim Abdul Razak

The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel

Qiwei Liu, Dezheng Wang, [ ... ], Xiaopeng Yu

Dabrafenib, idelalisib and nintedanib act as significant allosteric modulator for dengue NS3 protease

R. V. Sriram Uday, Rajdip Misra, [ ... ], Nakul C. Maiti

A community-powered search of machine learning strategy space to find NMR property prediction models

Lars A. Bratholm, Will Gerrard, [ ... ], David R. Glowacki

Anchoring the T6SS to the cell wall: Crystal structure of the peptidoglycan binding domain of the TagL accessory protein

Van Son Nguyen, Silvia Spinelli, [ ... ], Philippe Leone

Chiral deaza-coelenterazine analogs for probing a substrate-binding site in the Ca²⁺-binding photoprotein aequorin

Satoshi Inouye, Yuto Sumida, [ ... ], Takamitsu Hosoya

Study on ageing characteristics and evaluation methods of RTV silicone rubber in high humidity area

Hao Yang, Ran Wen, [ ... ], Yu Chen

Smell compounds classification using UMAP to increase knowledge of odors and molecular structures linkages

Marylène Rugard, Thomas Jaylet, [ ... ], Karine Audouze

Molecular dynamics analysis of N-acetyl-D-glucosamine against specific SARS-CoV-2’s pathogenicity factors

Ömür Baysal, Naeem Abdul Ghafoor, [ ... ], Volha Kniazeva

Identifying the chloroperoxyl radical in acidified sodium chlorite solution

Hiroyuki Kawata, Masahiro Kohno, [ ... ], Toshikazu Yoshikawa

Heterogeneous multimeric structure of isocitrate lyase in complex with succinate and itaconate provides novel insights into its inhibitory mechanism

Sunghark Kwon, Hye Lin Chun, [ ... ], Hyun Ho Park

Development of a graph convolutional neural network model for efficient prediction of protein-ligand binding affinities

Jeongtae Son, Dongsup Kim

Structure of the EphB6 receptor ectodomain

Emilia O. Mason, Yehuda Goldgur, [ ... ], Juha P. Himanen

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