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The Journal of Chemical Physics|August 10, 2015
Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent moleculesSiqin Cao, Fu Kit Sheong, Xuhui Huang
Journal of Computational Chemistry|March 1, 2023
EPISOL: A software package with expanded functions to perform 3D-RISM calculations for the solvation of chemical and biological moleculesSiqin Cao, Michael L Kalin, Xuhui Huang
Chemical Science|November 25, 2021
Structure prediction of cyclic peptides by molecular dynamics + machine learningJiayuan Miao, Marc L Descoteaux, Yu-Shan Lin
Journal of the American Chemical Society|September 12, 2013
Dynamics of an intrinsically disordered protein reveal metastable conformations that potentially seed aggregationQin Qiao, Gregory R Bowman, Xuhui Huang
The Journal of Chemical Physics|November 4, 2025
A Python tutorial for 3DRISM solvation calculations of chemical and biological moleculesPeter C Swanson, Siqin Cao, Xuhui Huang
Journal of Chemical Information and Modeling|October 5, 2021
CATBOSS: Cluster Analysis of Trajectories Based on Segment SplittingJovan Damjanovic, James M Murphy, Yu-Shan Lin
Journal of Environmental Management|June 6, 2025
Identifying motivations, measures and challenges to implement corporate biodiversity management and reporting: A systematic review across sectors and regionsLena Keckel, Yu-Shan Lin Feuer, Remmer Sassen
Physical Chemistry Chemical Physics : PCCP|November 3, 2016
Dynamics of the conformational transitions during the dimerization of an intrinsically disordered peptide: a case study on the human islet amyloid polypeptide fragmentQin Qiao, Ruxi Qi, Guanghong Wei, et al.
Carbon Balance and Management|December 26, 2025
Carbon mitigation effect of service trade innovation: quasi-experimental evidence from ChinaYantuan Yu, Yutong Cai, Xuhui Huang, et al.
Journal of Agricultural and Food Chemistry|November 27, 2025
Scaffolding Strategies in Mimicking Muscle and Fat Tissue: Focus on the Current Primary Challenge in Cultured MeatShan Shang, Xuhui Huang, Beiwei Zhu, et al.
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