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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

733

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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

854

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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

189

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Theoretical and Computational Chemistry

Working Paper

SYNERGY OF ADVANCED MACHINE LEARNING AND DEEP NEURAL NETWORKS WITH CONSENSUS MOLECULAR DOCKING FOR ENHANCED POTENCY PREDICTION OF ALK INHIBITORS

The-Chuong Trinh, Tieu-Long Phan, Van-Thinh To, Thanh-An Pham, Gia-Bao Truong, Hoang-Son Le, Xuan-Truc Tran, Tuyen Ngoc Truong

Version 1 posted 05 September 2024

73

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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

161

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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

391

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Organic Chemistry

Review

Methanol Activation: Strategies for Utilization of Methanol as C1 Building Block in Sustainable Organic Synthesis

Hung-Vu Tran, Tuan Thanh Dang, Nguyen Hoang Nguyen, Huyen Thu Tran, Dung Tien Nguyen, Dang Van Do, Thanh Son Le, Thuong Hanh Ngo, Yawa K. E. Late, Prince Nana Amaniampong, Eugene Fletcher, Tran Quang Hung, Yuran Cheng, Tuan Khoa Nguyen, Tuan Sang Tran, Jun Zhang, Hongjie An, Nam-Trung Nguyen, Quang Thang Trinh

Version 1 posted 18 October 2024

212

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Refine Search

7 results in Thanh Son Le in Authors: Thanh Son Le

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

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

SYNERGY OF ADVANCED MACHINE LEARNING AND DEEP NEURAL NETWORKS WITH CONSENSUS MOLECULAR DOCKING FOR ENHANCED POTENCY PREDICTION OF ALK INHIBITORS

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

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

Methanol Activation: Strategies for Utilization of Methanol as C1 Building Block in Sustainable Organic Synthesis

7 results in Authors: Thanh Son Le