Xibing He - RankMe

16 papers Journal 16

Year	Rank	Type	Title / Venue / Authors
2024	J	`jnl`	Effects of All-Atom and Coarse-Grained Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of a Tau K18 Monomer. J. Chem. Inf. Model. Xibing He, Viet Hoang Man, Jie Gao, Junmei Wang
2023	J	`jnl`	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. J. Comput. Chem. Yuchen Sun, Xibing He, Tingjun Hou, Lianjin Cai, Viet Hoang Man, Junmei Wang
2023	J	`jnl`	Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of J. Comput. Chem. Yuchen Sun, Tingjun Hou, Xibing He, Viet Hoang Man, Junmei Wang
2023	J	`jnl`	Distribution of Bound Conformations in Conformational Ensembles for X-ray Ligands Predicted by the ANI-2X Machine Learning Potential. J. Chem. Inf. Model. Fengyang Han, Dongxiao Hao, Xibing He, Luxuan Wang, Taoyu Niu, Junmei Wang
2023	J	`jnl`	Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. J. Chem. Inf. Model. Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang
2023	J	`jnl`	Unpolarized laser method for infrared spectrum calculation of amide I C=O bonds in proteins using molecular dynamics simulation. Comput. Biol. Medicine Viet Hoang Man, Xibing He, Phuong H. Nguyen, Celeste Sagui, Christopher Roland, Xiang-Qun Xie, Junmei Wang
2022	J	`jnl`	Stable Cavitation Interferes with Aβ J. Chem. Inf. Model. Viet Hoang Man, Xibing He, Junmei Wang
2021	J	`jnl`	In silico binding profile characterization of SARS-CoV-2 spike protein and its mutants bound to human ACE2 receptor. Briefings Bioinform. Yuzhao Zhang, Xibing He, Jingchen Zhai, Beihong Ji, Viet Hoang Man, Junmei Wang
2021	J	`jnl`	Incorporating structural similarity into a scoring function to enhance the prediction of binding affinities. J. Cheminformatics Beihong Ji, Xibing He, Yuzhao Zhang, Jingchen Zhai, Viet Hoang Man, Shuhan Liu, Junmei Wang
2021	J	`jnl`	Machine learning on ligand-residue interaction profiles to significantly improve binding affinity prediction. Briefings Bioinform. Beihong Ji, Xibing He, Jingchen Zhai, Yuzhao Zhang, Viet Hoang Man, Junmei Wang
2020	J	`jnl`	How Well Does the Extended Linear Interaction Energy Method Perform in Accurate Binding Free Energy Calculations? J. Chem. Inf. Model. Dongxiao Hao, Xibing He, Beihong Ji, Shengli Zhang, Junmei Wang
2019	J	`jnl`	Calculate protein-ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3. J. Comput. Aided Mol. Des. Xibing He, Viet Hoang Man, Beihong Ji, Xiang-Qun Xie, Junmei Wang
2019	J	`jnl`	Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation. J. Comput. Aided Mol. Des. Haixia Ge, Yuemin Bian, Xibing He, Xiang-Qun Xie, Junmei Wang
2017	J	`jnl`	Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates. J. Comput. Aided Mol. Des. Meagan C. Small, Asaminew H. Aytenfisu, Fang-Yu Lin, Xibing He, Alexander D. MacKerell Jr.
2014	J	`jnl`	Exact multiplicity and stability of solutions of second-order Neumann boundary value problem. Appl. Math. Comput. Hui Xing, Hongbin Chen, Xibing He
2012	J	`jnl`	Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations. J. Comput. Chem. Wenbo Yu, Xibing He, Kenno Vanommeslaeghe, Alexander D. MacKerell Jr.