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Biological and Medicinal Chemistry

Working Paper

Assessing Potential Inhibitors for SARS-CoV-2 Main Protease from Available Drugs using Free Energy Perturbation Simulations

Son Tung Ngo, Hung Minh Nguyen, Le Thi Thuy Huong, Pham Minh Quan, Vi Khanh Truong, Nguyen Thanh Tung, Van Vu

Version 2 posted 21 October 2020

697

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Biological and Medicinal Chemistry

Working Paper

Rapid Prediction of Possible Inhibitors for SARS-CoV-2 Main Protease using Docking and FPL Simulations

Pham Minh Quan, Khanh B. Vu, T. Ngoc Han Pham, Le Thi Thuy Huong, Linh Hoang Tran, Nguyen Thanh Tung, Van Vu, Trung Hai Nguyen, Son Tung Ngo

Version 2 posted 10 August 2020

822

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Catalysis

Working Paper

Exploration of Ethanol-to-Butadiene Catalysts by High-Throughput Experimentation and Machine Learning

Tejkiran Pindi Jayakumar, Sumanaspurthi Puvvadi Suresh Babu, Thanh Nhat Nguyen, Son Dinh Le, Toshiaki Taniike

Version 1 posted 16 May 2023

348

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Energy

Working Paper

Beyond Molecular Structure: Critically Assessing Machine Learning for Designing Organic Photovoltaic Materials and Devices

Martin Seifrid, Stanley Lo, Dylan G. Choi, Gary Tom, My Linh Le, Kunyu Li, Rahul Sankar, Hoai-Thanh Vuong, Hiba Wakidi, Ahra Yi, Ziyue Zhu, Nora Schopp, Aaron Peng, Benjamin Luginbuhl, Thuc-Quyen Nguyen, Alán Aspuru-Guzik

Version 2 posted 01 April 2024

496

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Biological and Medicinal Chemistry

Working Paper

Novel machine learning approach toward classification model of HIV-1 integrase inhibitors

Tieu-Long Phan, Hoang-Son Lai Le, Gia-Bao Truong, The-Chuong Trinh, Van-Thinh To, Phuoc-Chung Van Nguyen, Thanh-An Pham, Tuyen Ngoc Truong

Version 1 posted 18 January 2024

164

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Theoretical and Computational Chemistry

Working Paper

Adapting Language Models for Retrosynthesis Prediction

Phuong Nguyen-Van, Long Nguyen Thanh, Ha Hoang Manh, Ha Anh Pham Thi, Thanh Le Nguyen, Viet Anh Nguyen

Version 1 posted 09 July 2024

92

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Biological and Medicinal Chemistry

Working Paper

Discovery of VEGFR-2 Inhibitors employing Junction Tree Variational Encoder with Local Latent Space Bayesian Optimization and Gradient Ascent Exploration

Gia-Bao Truong, Thanh-An Pham, Van-Thinh To, Hoang-Son Lai Le, Phuoc-Chung Van Nguyen, The-Chuong Trinh, Tieu-Long Phan, Tuyen Ngoc Truong

Version 1 posted 15 July 2024

75

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Refine Search

7 results in Thanh Le Nguyen in Authors: Thanh Le Nguyen

Assessing Potential Inhibitors for SARS-CoV-2 Main Protease from Available Drugs using Free Energy Perturbation Simulations

Rapid Prediction of Possible Inhibitors for SARS-CoV-2 Main Protease using Docking and FPL Simulations

Exploration of Ethanol-to-Butadiene Catalysts by High-Throughput Experimentation and Machine Learning

Beyond Molecular Structure: Critically Assessing Machine Learning for Designing Organic Photovoltaic Materials and Devices

Novel machine learning approach toward classification model of HIV-1 integrase inhibitors

Adapting Language Models for Retrosynthesis Prediction

Discovery of VEGFR-2 Inhibitors employing Junction Tree Variational Encoder with Local Latent Space Bayesian Optimization and Gradient Ascent Exploration

7 results in Authors: Thanh Le Nguyen