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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, Shaharin Fadzli Abd. Rahman, Mohd Fairus Mohd Yusoff, Afiq Hamzah

published 10 Mar 2023

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A deep graph convolutional neural network architecture for graph classification

Yuchen Zhou, Hongtao Huo, Zhiwen Hou, Fanliang Bu

published 10 Mar 2023

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

Richard J. Mandle

published 30 Dec 2022

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Molecular structure characterization analysis and molecular model construction of anthracite

Jinzhang Jia, Yumo Wu, Dan Zhao, Bin Li, Dongming Wang, Fengxiao Wang, Yinuo Chen

published 28 Sep 2022

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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

published 12 Aug 2022

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

Riley Barton, Sasha Wagner

published 26 May 2022

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

Ricardo Oliveira, Eva Pinho, Ana Luísa Sousa, Óscar Dias, Nuno Filipe Azevedo, Carina Almeida

published 23 Mar 2022

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

Lin Hong, Wenjing Wang, Dameng Gao, Wentong Liu

published 11 Mar 2022

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

Takashi Nishio, Yuko Yoshikawa, Kenichi Yoshikawa

published 22 Dec 2021

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

Yechuan Huang, Xicai Zhang, Huayi Suo

published 21 Dec 2021

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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

published 18 Nov 2021

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

Samuel Coulbourn Flores, Athanasios Alexiou, Anastasios Glaros

published 02 Nov 2021

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

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

published 15 Oct 2021

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