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Chemical Physics|October 3, 2022
Searching for potential inhibitors of SARS-COV-2 main protease using supervised learning and perturbation calculationsTrung Hai Nguyen, Nguyen Minh Tam, Mai Van Tuan, et al.Journal of Molecular Graphics & Modelling|June 6, 2022
Searching for AChE inhibitors from natural compounds by using machine learning and atomistic simulationsQuynh Mai Thai, T Ngoc Han Pham, Dinh Minh Hiep, et al.Journal of Molecular Graphics & Modelling|November 19, 2024
Estimating AChE inhibitors from MCE database by machine learning and atomistic calculationsQuynh Mai Thai, Trung Hai Nguyen, George Binh Lenon, et al.RSC Advances|June 14, 2024
MedChemExpress compounds prevent neuraminidase N1 <i>via</i> physics- and knowledge-based methodsQuynh Mai Thai, Trung Hai Nguyen, Huong Thi Thu Phung, et al.RSC Advances|May 9, 2024
Alchemical approach performance in calculating the ligand-binding free energySon Tung Ngo, Quynh Mai Thai, Trung Hai Nguyen, et al.Journal of Molecular Graphics & Modelling|June 9, 2023
Upgrading nirmatrelvir to inhibit SARS-CoV-2 Mpro via DeepFrag and free energy calculationsNguyen Minh Tam, Trung Hai Nguyen, Minh Quan Pham, et al.RSC Advances|April 23, 2025
Tripeptides inhibit dual targets AChE and BACE-1: a computational studyAnh Tuan Do, Trung Hai Nguyen, Minh Quan Pham, et al.Scientific Reports|July 5, 2017
Origin of proton affinity to membrane/water interfacesEwald Weichselbaum, Maria Österbauer, Denis G Knyazev, et al.Journal of Chemical Information and Modeling|December 31, 2019
Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding AffinityNguyen Thanh Nguyen, Trung Hai Nguyen, T Ngoc Han Pham, et al.RSC Advances|December 22, 2022
Correction: Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulationsMinh Quan Pham, Khanh B Vu, T Ngoc Han Pham, et al.Pageof 5