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List of works by Fu Kit Sheong

A Flexible Domain-Domain Hinge Promotes an Induced-fit Dominant Mechanism for the Loading of Guide-DNA into Argonaute Protein in Thermus thermophilus

scientific article

A fast parallel clustering algorithm for molecular simulation trajectories

scientific article published on 20 September 2012

Adaptive partitioning by local density-peaks: An efficient density-based clustering algorithm for analyzing molecular dynamics trajectories

scientific article published on 21 November 2016

An [Au13]5+ Approach to the Study of Gold Nanoclusters

scientific article published on 13 October 2016

An efficient Bayesian kinetic lumping algorithm to identify metastable conformational states via Gibbs sampling

scientific article published on 01 August 2018

Application of Markov State Models to simulate long timescale dynamics of biological macromolecules.

scientific article published in January 2014

Automatic state partitioning for multibody systems (APM): an efficient algorithm for constructing Markov state models to elucidate conformational dynamics of multibody systems

scientific article published on 23 December 2014

Catalytic Enantioselective Intermolecular Desymmetrization of Azetidines

scientific article published on 04 May 2015

Computational Insight into Nickel-Catalyzed Carbon-Carbon versus Carbon-Boron Coupling Reactions of Primary, Secondary, and Tertiary Alkyl Bromides

scientific article published on 01 April 2015

Constructing Kinetic Network Models to Elucidate Mechanisms of Functional Conformational Changes of Enzymes and Their Recognition with Ligands.

scientific article published on 24 June 2016

DFT Studies on Copper-Catalyzed Hydrocarboxylation of Alkynes Using CO2 and Hydrosilanes

Electron counting approach to the structure and bonding of sandwiched low dimensional palladium clusters

Elucidation of the conformational dynamics of multi-body systems by construction of Markov state models

scientific article published on 17 June 2016

Exoselective 1,3-Dipolar [3 + 6] Cycloaddition of Azomethine Ylides with 2-Acylcycloheptatrienes: Stereoselectivity and Mechanistic Insight

scientific article published on 27 February 2015

Lewis Description of Bonding in Transition Metal Complexes

Markov State Models Reveal a Two-Step Mechanism of miRNA Loading into the Human Argonaute Protein: Selective Binding followed by Structural Re-arrangement

scientific article published on 16 July 2015

Path lumping: An efficient algorithm to identify metastable path channels for conformational dynamics of multi-body systems

scientific article

Peeling the onion: a revised model of the electron count for matryoshka clusters

scientific article published on 01 April 2015

Principal interacting spin orbital: understanding the fragment interactions in open-shell systems

scientific article published on 28 April 2020

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 molecules.

scientific article published on August 2015

Revitalizing Spin Natural Orbital Analysis: Electronic Structures of Mixed-Valence Compounds, Singlet Biradicals, and Antiferromagnetically Coupled Systems

scientific article published on 16 January 2019

Structure and bonding of [Pd2Sn18]4-: an interesting example of the mutual delocalisation phenomenon

scientific article

TAPS: A traveling-salesman based automated path searching method for functional conformational changes of biological macromolecules

scientific article published on 01 March 2019

Understanding the core of RNA interference: The dynamic aspects of Argonaute-mediated processes.

scientific article

Unravelling chemical interactions with Principal Interacting Orbital analysis.

scientific article published on 17 April 2018

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