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Physical Chemistry

Working Paper

Ion pairing in aqueous tetramethylammonium–acetate solutions by neutron scattering and molecular dynamics simulations

Ngoc Lan Le Nguyen, Ondrej Tichacek, Pavel Jungwirth, Hector Martinez-Seara, Philip E. Mason, Elise Duboué-Dijon

Version 1 posted 12 November 2024

164

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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

913

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Theoretical and Computational Chemistry

Working Paper

Discovering Neuraminidase Inhibitors via Computational and Experimental Studies

Trung Hai Nguyen, Ngoc Quynh Anh Pham, Quynh Mai Thai, Van V. Van, Son Tung Ngo, Jim-Tong Horng

Version 1 posted 08 May 2024

186

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1

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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

564

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Theoretical and Computational Chemistry

Working Paper

Innovative Virtual Screening of PD-L1 Inhibitors: The Synergy of Molecular Similarity, Neural Networks, and GNINA Docking

Van-Thinh To, Tieu-Long Phan, Bao-Vy Ngoc Doan, Phuoc-Chung Van Nguyen, Dong-Nghi Hoang Nguyen, Quang-Huy Nguyen Le, Hoang-Huy Nguyen, The-Chuong Trinh, Tuyen Ngoc Truong

Version 1 posted 09 January 2024

420

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Catalysis

Working Paper

Insights into Molten Salts Induced Structural Defects in Graphitic Carbon Nitrides for Piezo-Photocatalysis with Multiple H2O2 Production Channels

Ly Pho Phuong, Duc-Viet Nguyen, Luu Anh Tuyen, Nguyen Quang Hung, Pham Thi Hue, Nguyen Thi Ngoc Hue, Minh-Thuan Pham, Thuy Thi Dieu Ung, Do Danh Bich, Phan Pham Duc Minh, Nguyen Hoai Anh, Huynh Phuoc Toan, Dai-Phat Bui, Seung Hyun Hur, Hoai-Thanh Vuong

Version 1 posted 26 September 2023

504

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Biological and Medicinal Chemistry

Working Paper

A library of copper-peptide/peptidomimetic complexes to explore the effect of ligand framework modification on electrocatalytic water oxidation

Qurrat Ul-Ain, Samir Das, Ngoc Nguyen, Bella Poduska, Molly McAuliffe, Mia Franks, Fred Greenaway, Emily Atkinson, Iryna Onasenko, Rene Kandler, Wesley W. Cramer, Arundhati Nag

Version 1 posted 04 March 2024

282

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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

250

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Biological and Medicinal Chemistry

Working Paper

Identification of Atovaquone and Mebendazole as Repurposed Drugs with Antiviral Activity against SARS-CoV-2 (Version 6)

Mahmoud Ahmed, Ayman Farag, Ian N. Boys, Ping Wang, Jennifer L. Eitson, Maikke B. Ohlson, Wenchun Fan, Matthew B. McDougal, Ivan Menendez-Montez, Ngoc Uyen Nhi Nguyen, Uyen Nhi Nguyen, Katrina Mar, Francisco Ortiz, Soo Young Kim, Noelle Williams, Andrew Lemoff lemoff, Ralph DeBerardinis, John W. Schoggins, Hesham Sadek

Version 7 posted 06 September 2021

11,298

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3

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Analytical Chemistry

Working Paper

Assessment of Surface Water Quality Using Multivariate Statistical Techniques: A Case Study of Saigon River

Huu-Quang Nguyen, Quoc-Phuong Vuong, Ngoc-Anh Pham-Thi, Thuy-Tien Tran-Thi, Thi-Phuoc Ho, Son Hai Truong Lam

Version 1 posted 09 March 2020

621

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1

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17 results in Ngoc Nguyen in Authors: Ngoc Nguyen

Ion pairing in aqueous tetramethylammonium–acetate solutions by neutron scattering and molecular dynamics simulations

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

Discovering Neuraminidase Inhibitors via Computational and Experimental Studies

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

Innovative Virtual Screening of PD-L1 Inhibitors: The Synergy of Molecular Similarity, Neural Networks, and GNINA Docking

Insights into Molten Salts Induced Structural Defects in Graphitic Carbon Nitrides for Piezo-Photocatalysis with Multiple H2O2 Production Channels

A library of copper-peptide/peptidomimetic complexes to explore the effect of ligand framework modification on electrocatalytic water oxidation

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

Identification of Atovaquone and Mebendazole as Repurposed Drugs with Antiviral Activity against SARS-CoV-2 (Version 6)

Assessment of Surface Water Quality Using Multivariate Statistical Techniques: A Case Study of Saigon River

17 results in Authors: Ngoc Nguyen