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6 results in Authors: Binquan Luan

Theoretical and Computational Chemistry

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

407

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Biological and Medicinal Chemistry

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

1,235

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4

Citations

Chemical Engineering and Industrial Chemistry

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

501

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1

Citations

Biological and Medicinal Chemistry

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

1,400

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Physical Chemistry

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

580

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Materials Chemistry

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

212

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