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Proceedings of the National Academy of Sciences of the United States of America|February 25, 2025
Linking DNA-packing density distribution and TAD boundary locationsLuming Meng, Fu Kit Sheong, Qiong LuoThe Journal of Chemical Physics|August 3, 2017
Path lumping: An efficient algorithm to identify metastable path channels for conformational dynamics of multi-body systemsLuming Meng, Fu Kit Sheong, Xiangze Zeng, et al.Journal of Chemical Theory and Computation|November 18, 2015
Automatic state partitioning for multibody systems (APM): an efficient algorithm for constructing Markov state models to elucidate conformational dynamics of multibody systemsFu Kit Sheong, Daniel-Adriano Silva, Luming Meng, et al.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 HuangJournal of the American Chemical Society|December 10, 2024
Natural Fragment Bond Orbital Method for Interfragment Bonding Interaction AnalysisYichi Zhang, Fu Kit Sheong, Zhenyang LinNature Communications|July 17, 2021
Si-C is a method for inferring super-resolution intact genome structure from single-cell Hi-C dataLuming Meng, Chenxi Wang, Yi Shi, et al.Physical Chemistry Chemical Physics : PCCP|April 29, 2020
Principal interacting spin orbital: understanding the fragment interactions in open-shell systemsFu Kit Sheong, Jing-Xuan Zhang, Zhenyang LinChemistry (Weinheim an Der Bergstrasse, Germany)|April 19, 2018
Unravelling Chemical Interactions with Principal Interacting Orbital AnalysisJing-Xuan Zhang, Fu Kit Sheong, Zhenyang LinInorganic Chemistry|February 22, 2019
Remote Bonding in Clusters [Pd3Ge18R6]2-: Modular Bonding Model for Large Clusters via Principal Interacting Orbital AnalysisJing-Xuan Zhang, Fu Kit Sheong, Zhenyang LinJournal of Chemical Theory and Computation|August 25, 2025
Navigating the Electronic Grand Potential Surface with Analytical Nuclear Derivatives of Grand-Canonical Density-Functional TheoryYichi Zhang, Ka Lok Chan, Fu Kit SheongPageof 60