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Theoretical and Computational Chemistry

Working Paper

In Silico Exploration of Efficacious Inhibitors for SARS-CoV-2’s Papain-like Protease

Tien Huynh, Wendy Cornell, Binquan Luan

Version 1 posted 03 November 2020

410

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Biological and Medicinal Chemistry

Working Paper

In Silico Exploration of Molecular Mechanism and Potency Ranking of Clinically Oriented Drugs for Inhibiting SARS-CoV-2’s Main Protease

Tien Huynh, haoran wang, Binquan Luan

Version 1 posted 31 March 2020

1,403

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Biological and Medicinal Chemistry

Working Paper

In Silico Exploration of Repurposing and Optimizing Traditional Chinese Medicine Rutin for Possibly Inhibiting SARS-CoV-2's Main Protease

Tien Huynh, Haoran Wang, Wendy Cornell, Binquan Luan

Version 1 posted 14 May 2020

1,237

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4

Citations

Materials Chemistry

Working Paper

Combining Machine-Learning and Classical Potentials for Grand Canonical Monte Carlo Simulation of Chemisorption

Binquan Luan, Carine Ribeiro dos Santos dos Santos, Bowen Zheng, Felipe Lopes Oliveira, Rodrigo Neumann Barros Ferreira, Mathias Steiner, Grace X. Gu

Version 1 posted 14 October 2024

240

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Chemical Engineering and Industrial Chemistry

Working Paper

A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture

Conor Cleeton, Felipe Lopes de Oliveira, Rodrigo Neumann, Amir Farmahini, Binquan Luan, Mathias Steiner, Lev Sarkisov

Version 2 posted 21 June 2023

506

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1

Citations

Physical Chemistry

Working Paper

In silico Antibody Mutagenesis for Optimizing its Binding to the Spike Protein of SARS-CoV-2

Binquan Luan, Tien Huynh

Version 1 posted 18 September 2020

582

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Chemical Engineering and Industrial Chemistry

Working Paper

Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture

Rodrigo Neumann Barros Ferreira, Yogesh V. Joshi, Felipe Lopes Oliveira, Anantha Sundaram, Ashish B. Mhadeshwar, Jayashree Kalyanaraman, Binquan Luan, Mathias Steiner

Version 1 posted 19 November 2024

27

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Refine Search

7 results in Binquan Luan in Authors: Binquan Luan

In Silico Exploration of Efficacious Inhibitors for SARS-CoV-2’s Papain-like Protease

In Silico Exploration of Molecular Mechanism and Potency Ranking of Clinically Oriented Drugs for Inhibiting SARS-CoV-2’s Main Protease

In Silico Exploration of Repurposing and Optimizing Traditional Chinese Medicine Rutin for Possibly Inhibiting SARS-CoV-2's Main Protease

Combining Machine-Learning and Classical Potentials for Grand Canonical Monte Carlo Simulation of Chemisorption

A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture

In silico Antibody Mutagenesis for Optimizing its Binding to the Spike Protein of SARS-CoV-2

Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture

7 results in Authors: Binquan Luan