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Molecular structure

Hydrogen gas sensing performance of a carbon-doped boron nitride nanoribbon at elevated temperatures

Ainun Khairiyah Taib, Zaharah Johari, [ ... ], Afiq Hamzah

A deep graph convolutional neural network architecture for graph classification

Yuchen Zhou, Hongtao Huo, Zhiwen Hou, Fanliang Bu

Implementation of a cylindrical distribution function for the analysis of anisotropic molecular dynamics simulations

Richard J. Mandle

Molecular structure characterization analysis and molecular model construction of anthracite

Jinzhang Jia, Yumo Wu, [ ... ], Yinuo Chen

A unified fixed point approach to study the existence of solutions for a class of fractional boundary value problems arising in a chemical graph theory

Wutiphol Sintunavarat, Ali Turab

Measuring dissolved black carbon in water via aqueous, inorganic, high-performance liquid chromatography of benzenepolycarboxylic acid (BPCA) molecular markers

Riley Barton, Sasha Wagner

Modelling aptamers with nucleic acid mimics (NAM): From sequence to three-dimensional docking

Ricardo Oliveira, Eva Pinho, [ ... ], Carina Almeida

Critical pore size for micropore filling in coal samples with different rank coals

Lin Hong, Wenjing Wang, Dameng Gao, Wentong Liu

Higher-order structure of DNA determines its positioning in cell-size droplets under crowded conditions

Takashi Nishio, Yuko Yoshikawa, Kenichi Yoshikawa

Interaction between β-lactoglobulin and EGCG under high-pressure by molecular dynamics simulation

Yechuan Huang, Xicai Zhang, Huayi Suo

Impact of nanodisc lipid composition on cell-free expression of proton-coupled folate transporter

Hoa Quynh Do, Carla M. Bassil, Elizabeth I. Andersen, Michaela Jansen

Mining the Protein Data Bank to improve prediction of changes in protein-protein binding

Samuel Coulbourn Flores, Athanasios Alexiou, Anastasios Glaros

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

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

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