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Molecular structure

Tau fibril with membrane lipids: Insight from computational modeling and simulations

Prechiel A. Barredo, Marvin Jose F. Fernandez, Christopher E. Ambe, Mannix P. Balanay

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

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