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Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of n-octanol-water partition coefficient (logP) for druglike molecules using MM-PBSA method.

Y. Sun, T. Hou, X. He, V. Man, and J. Wang. J. Comput. Chem., 44 (13): 1300-1311 (2023)

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Viet Hoang

Hoang quoc Viet

Hoang Viet-Ha Julius Vu

Georg Man

Man Guo

Other publications of authors with the same name

Incorporating structural similarity into a scoring function to enhance the prediction of binding affinities.B. Ji, X. He, Y. Zhang, J. Zhai, V. Man, S. Liu, and J. Wang. J. Cheminformatics, 13 (1): 11 (2021)Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2.V. Man, X. He, F. Han, L. Cai, L. Wang, T. Niu, J. Zhai, B. Ji, J. Gao, and J. Wang. J. Chem. Inf. Model., 63 (4): 1351-1361 (February 2023)Top Leads for Swine Influenza A/H1N1 Virus Revealed by Steered Molecular Dynamics Approach.B. Mai, M. Viet, and M. Li. Journal of Chemical Information and Modeling, 50 (12): 2236-2247 (2010)Stable Cavitation Interferes with Aβ16-22 Oligomerization.V. Man, X. He, and J. Wang. J. Chem. Inf. Model., 62 (16): 3885-3895 (2022)Unpolarized laser method for infrared spectrum calculation of amide I C=O bonds in proteins using molecular dynamics simulation.V. Man, X. He, P. Nguyen, C. Sagui, C. Roland, X. Xie, and J. Wang. Comput. Biol. Medicine, (June 2023)Machine learning on ligand-residue interaction profiles to significantly improve binding affinity prediction.B. Ji, X. He, J. Zhai, Y. Zhang, V. Man, and J. Wang. Briefings Bioinform., (2021)In silico binding profile characterization of SARS-CoV-2 spike protein and its mutants bound to human ACE2 receptor.Y. Zhang, X. He, J. Zhai, B. Ji, V. Man, and J. Wang. Briefings Bioinform., (2021)Calculate protein-ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3.X. He, V. Man, B. Ji, X. Xie, and J. Wang. J. Comput. Aided Mol. Des., 33 (1): 105-117 (2019)Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method.Y. Sun, X. He, T. Hou, L. Cai, V. Man, and J. Wang. J. Comput. Chem., 44 (14): 1334-1346 (2023)Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of n-octanol-water partition coefficient (logP) for druglike molecules using MM-PBSA method.Y. Sun, T. Hou, X. He, V. Man, and J. Wang. J. Comput. Chem., 44 (13): 1300-1311 (2023)

BibSonomy

Disambiguation of "Man, Viet Hoang"