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List of works by Jun Wang

Computation of relative binding free energy for an inhibitor and its analogs binding with Erk kinase using thermodynamic integration MD simulation.

scientific article published on 18 September 2012

Computational Insight to Improve the Thermal Isomerisation Performance of Overcrowded Alkene-Based Molecular Motors through Structural Redesign

scientific article published on 23 August 2016

Excited-State Aromaticity Improves Molecular Motors: A Computational Analysis

scientific article published on 25 August 2017

How accurate are TD-DFT excited-state geometries compared to DFT ground-state geometries?

scientific article published on 23 April 2020

Intramolecular Proton and Charge Transfer of Pyrene-based trans-Stilbene Salicylic Acids Applied to Detection of Aggregated Proteins

scientific article published on 08 October 2018

Light-driven rotary molecular motors without point chirality: a minimal design.

scientific article published on 27 February 2017

Negative dissociation energy phenomenon of metastable H-bonds as revealed in triplex DNA hole migration

scientific article published on 01 January 2010

Photoinduced Ultrafast Intramolecular Excited-State Energy Transfer in the Silylene-Bridged Biphenyl and Stilbene (SBS) System: A Nonadiabatic Dynamics Point of View

scientific article published on 25 June 2015

Photoinduced nonadiabatic decay and dissociation dynamics of dimethylnitramine.

scientific article published on 29 May 2013

Toward Fast and Efficient Visible-Light-Driven Molecular Motors: A Minimal Design

scholarly article by Jun Wang & Bo Durbeej published August 2018 in ChemistryOpen

Tracking of the molecular motion in the primary event of photoinduced reactions of a phytochromobilin model.

scientific article published on 2 December 2013

Unexpected dissociation energetics of the Na(+) counterion from GC motifs in DNA hole-migration.

scientific article published on 8 September 2010

Unidirectional Rotary Motion in Isotopically Chiral Molecular Motors: A Computational Analysis

scientific article published on 21 August 2020

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