Origin of proton affinity to membrane/water interfaces von Weichselbaum, Ewald, Österbauer, Maria, Knyazev, Denis G., Batishchev, Oleg V., Akimov, Sergey A., Hai Nguyen, Trung, Zhang, Chao, Knör, Günther, Agmon, Noam, Carloni, Paolo, Pohl, Peter

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Structural Biology of Cisplatin Complexes with Cellular Targets: The Adduct with Human Copper Chaperone Atox1 in Aqueous Solution von Calandrini, Vania, Nguyen, Trung Hai, Arnesano, Fabio, Galliani, Angela, Ippoliti, Emiliano, Carloni, Paolo, Natile, Giovanni

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Evaluation of statistical and machine learning models using satellite data to estimate aboveground biomass: A study in Vietnam Tropical Forests von Nguyen, Thuy Phuong, Nguyen, Phuc Khoa, Nguyen, Huu Ngu, Tran, Thanh Duc, Pham, Gia Tung, Le, Thai Hung, Le, Dinh Huy, Nguyen, Trung Hai, Nguyen, Van Binh

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Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity von Nguyen, Nguyen Thanh, Nguyen, Trung Hai, Pham, T. Ngoc Han, Huy, Nguyen Truong, Bay, Mai Van, Pham, Minh Quan, Nam, Pham Cam, Vu, Van V, Ngo, Son Tung

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Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV-2 Mpro von Ngo, Son Tung, Tam, Nguyen Minh, Pham, Minh Quan, Nguyen, Trung Hai

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Memetic algorithms outperform evolutionary algorithms in multimodal optimisation von Nguyen, Phan Trung Hai, Sudholt, Dirk

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Insights into the binding and covalent inhibition mechanism of PF-07321332 to SARS-CoV-2 Mpro von Son Tung Ngo, Nguyen, Trung Hai, Nguyen Thanh Tung, Binh Khanh Mai

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Effect of Cholesterol Molecules on Aβ1-42 Wild-Type and Mutants Trimers von Nguyen, Trung Hai, Nguyen, Phuong H, Ngo, Son Tung, Derreumaux, Philippe

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Improving ligand‐ranking of AutoDock Vina by changing the empirical parameters von Pham, T. Ngoc Han, Nguyen, Trung Hai, Tam, Nguyen Minh, Y. Vu, Thien, Pham, Nhat Truong, Huy, Nguyen Truong, Mai, Binh Khanh, Tung, Nguyen Thanh, Pham, Minh Quan, V. Vu, Van, Ngo, Son Tung

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Searching for potential inhibitors of SARS-COV-2 main protease using supervised learning and perturbation calculations von Nguyen, Trung Hai, Tam, Nguyen Minh, Tuan, Mai Van, Zhan, Peng, Vu, Van V., Quang, Duong Tuan, Ngo, Son Tung

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Bayesian regression and model selection for isothermal titration calorimetry with enantiomeric mixtures von Trung Hai Nguyen, Van N T La, Kyle Burke, David D L Minh

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Neighborhood informal social control and child maltreatment: A comparison of protective and punitive approaches von Emery, Clifton R, Trung, Hai Nguyen, Wu, Shali

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Absolute Binding Free Energies between T4 Lysozyme and 141 Small Molecules: Calculations Based on Multiple Rigid Receptor Configurations von Xie, Bing, Nguyen, Trung Hai, Minh, David D. L

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Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion von Zhang, Chao, Knyazev, Denis G, Vereshaga, Yana A, Ippoliti, Emiliano, Nguyen, Trung Hai, Carloni, Paolo, Pohl, Peter

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Bayesian regression and model selection for isothermal titration calorimetry with enantiomeric mixtures von Nguyen, Trung Hai, La, Van N T, Burke, Kyle, Minh, David D L

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Implicit ligand theory for relative binding free energies von Nguyen, Trung Hai, Minh, David D. L.

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Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations von Pham, Minh Quan, Vu, Khanh B, Han Pham, T. Ngoc, Thuy Huong, Le Thi, Tran, Linh Hoang, Tung, Nguyen Thanh, Vu, Van V, Nguyen, Trung Hai, Ngo, Son Tung

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Interfacial water molecules at biological membranes: Structural features and role for lateral proton diffusion von Nguyen, Trung Hai, Zhang, Chao, Weichselbaum, Ewald, Knyazev, Denis G, Pohl, Peter, Carloni, Paolo

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The emergence of TMT learning goal orientation: contextual effects of TMT demographic diversity on TMT cognitive processes von Nguyen, Hai-Trung, Lin, Hao-Chieh, Chang, Shao-Chi

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Using the fast fourier transform in binding free energy calculations von Nguyen, Trung Hai, Zhou, Huan‐Xiang, Minh, David D. L.

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