List of works - Vannajan Sanghiran Lee

2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations

scholarly article in RSC Advances, vol. 8 no. 14, 2018

2-[3-(2-Aminoethylsulfanyl)propylsulfanyl]ethanamine Bearing Dansyl Subunits: An Efficient, Simple, and Rapid Fluorometric Sensor for the Detection of Mercury(II) Ions

2D, 3D-QSAR, and pharmacophore studies on thiazolidine-4-carboxylic acid derivatives as neuraminidase inhibitors in H3N2 influenza virus

A new fluorescent sensor bearing three dansyl fluorophores for highly sensitive and selective detection of mercury(II) ions

Antimicrobial activity of Tachyplesin 1 against Burkholderia pseudomallei: an in vitro and in silico approach.

scientific article published on 25 October 2016

Chemical reaction of soybean flavonoids with DNA: a computational study using the implicit solvent model

scientific article published on 25 January 2012

Computational and experimental study of low energy Ar+ bombardment on Nafion

Computational design of peptide inhibitor based on modifications of proregion from Plutella xylostella midgut trypsin

scientific article published on 30 January 2012

Conformations and spectroscopic properties of laccaic acid A in the gas phase and in implicit water

scientific article

Current Development on HIV-1 Protease Inhibitors

article

Density functional molecular dynamics simulations investigation of proton transfer and inter-molecular reorientation under external electrostatic field perturbation: Case studies for water and imidazole systems

Density functional theory investigation of site predilection of Fe substitution in barium titanate

Does cation break the cyano bond? A critical evaluation of nitrile-cation interaction

scientific article

Dynamics and binding interactions of peptide inhibitors of dengue virus entry

scientific article published on 24 January 2019

Epoxy Resin Surface Functionalization Using Atmospheric Pressure Plasma Jet Treatment

Fragment-based molecular design of new competitive dengue Den2 Ns2b/Ns3 inhibitors from the components of fingerroot (Boesenbergia rotunda).

scientific article published on January 2011

G3 assisted rational design of chemical sensor array using carbonitrile neutral receptors

scientific article published on 14 October 2013

Genetic relationship between Coptotermes gestroi and Coptotermes vastator (Isoptera: Rhinotermitidae).

scientific article

Identification of amino acid residues of a designed ankyrin repeat protein potentially involved in intermolecular interactions with CD4: analysis by molecular dynamics simulations

scientific article

Improved scFv anti-HIV-1 p17 binding affinity guided from the theoretical calculation of pairwise decomposition energies and computational alanine scanning

scientific article

In silico study on anti-Chikungunya virus activity of hesperetin

scientific article published on 26 October 2016

Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study

scientific article published on 28 August 2010

K-means Clustering and Hierarchical Cluster Analysis Coupled with Linear Discriminant Analysis to Classify Signals in Osmotic Fragility Test for Thalassemia Screening

Litchi chinensis-derived terpenoid as anti-HIV-1 protease agent: structural design from molecular dynamics simulations

article

Loop dynamics behind the affinity of DARPins towards ERK2: Molecular dynamics simulations (MDs) and elastic network model (ENM)

article

Molecular Functionalization of Cold-Plasma-Treated Bombyx mori Silk

Molecular dynamic simulations analysis of ritonavir and lopinavir as SARS-CoV 3CL(pro) inhibitors

scientific article published on 29 July 2008

Molecular dynamics simulations of Krytox-Silica–Nafion composite for high temperature fuel cell electrolyte membranes

Molecular modeling of peroxidase and polyphenol oxidase: substrate specificity and active site comparison

scientific article published on 14 September 2010

Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum

Monte carlo and molecular dynamics simulations of surface modification of DNA interacted with ultra-low-energy carbon atoms

On the kinetics and reaction mechanisms of boronic acid in interaction with diols for non-enzymatic glucose monitoring applications: a hybrid DFT study

scholarly article in RSC Advances, vol. 4 no. 21, 2014

Opportunities and challenges in the development of monoethanolamine and its blends for post-combustion CO2 capture

article

Pairwise decomposition of residue interaction energies of single chain Fv with HIV-1 p17 epitope variants

article

Polysulfonate suramin inhibits Zika virus infection

scientific article

Quantum Mechanics/Molecular Mechanics Modeling of Substrate-Assisted Catalysis in Family 18 Chitinases: Conformational Changes and the Role of Asp142 in Catalysis in ChiB

article

Rhodamine B-based “turn-on” fluorescent and colorimetric chemosensors for highly sensitive and selective detection of mercury (II) ions

Simultaneous Spectrophotometric Determination of Food Colorants Employing Multivariate Calibration Methods

Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations

scientific article

Study of interaction between cationic surfactant (CTAB) and paracetamol by electrical conductivity, tensiometric and spectroscopic methods

Synthesis of Molecularly Imprinted Polymers for Nevirapine by Dummy Template Imprinting Approach

article published in 2009

Synthesis of a novel fluorescent sensor bearing dansyl fluorophores for the highly selective detection of mercury (II) ions.

scientific article

The gas phase conformers and vibrational spectra of valine, leucine and isoleucine: An ab initio study

article

Tin (IV) alkoxide initiator design for poly (d-lactide) synthesis using DFT calculations

Transition state study of cyclization step in peptide catalyzed flavanone synthesis

scholarly article published 2012

List of works by Vannajan Sanghiran Lee

2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations

2-[3-(2-Aminoethylsulfanyl)propylsulfanyl]ethanamine Bearing Dansyl Subunits: An Efficient, Simple, and Rapid Fluorometric Sensor for the Detection of Mercury(II) Ions

2D, 3D-QSAR, and pharmacophore studies on thiazolidine-4-carboxylic acid derivatives as neuraminidase inhibitors in H3N2 influenza virus

A new fluorescent sensor bearing three dansyl fluorophores for highly sensitive and selective detection of mercury(II) ions

Antimicrobial activity of Tachyplesin 1 against Burkholderia pseudomallei: an in vitro and in silico approach.

Chemical reaction of soybean flavonoids with DNA: a computational study using the implicit solvent model

Computational and experimental study of low energy Ar+ bombardment on Nafion

Computational design of peptide inhibitor based on modifications of proregion from Plutella xylostella midgut trypsin

Conformations and spectroscopic properties of laccaic acid A in the gas phase and in implicit water

Current Development on HIV-1 Protease Inhibitors

Density functional molecular dynamics simulations investigation of proton transfer and inter-molecular reorientation under external electrostatic field perturbation: Case studies for water and imidazole systems

Density functional theory investigation of site predilection of Fe substitution in barium titanate

Does cation break the cyano bond? A critical evaluation of nitrile-cation interaction

Dynamics and binding interactions of peptide inhibitors of dengue virus entry

Epoxy Resin Surface Functionalization Using Atmospheric Pressure Plasma Jet Treatment

Fragment-based molecular design of new competitive dengue Den2 Ns2b/Ns3 inhibitors from the components of fingerroot (Boesenbergia rotunda).

G3 assisted rational design of chemical sensor array using carbonitrile neutral receptors

Genetic relationship between Coptotermes gestroi and Coptotermes vastator (Isoptera: Rhinotermitidae).

Identification of amino acid residues of a designed ankyrin repeat protein potentially involved in intermolecular interactions with CD4: analysis by molecular dynamics simulations

Improved scFv anti-HIV-1 p17 binding affinity guided from the theoretical calculation of pairwise decomposition energies and computational alanine scanning

In silico study on anti-Chikungunya virus activity of hesperetin

Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study

K-means Clustering and Hierarchical Cluster Analysis Coupled with Linear Discriminant Analysis to Classify Signals in Osmotic Fragility Test for Thalassemia Screening

Litchi chinensis-derived terpenoid as anti-HIV-1 protease agent: structural design from molecular dynamics simulations

Loop dynamics behind the affinity of DARPins towards ERK2: Molecular dynamics simulations (MDs) and elastic network model (ENM)

Molecular Functionalization of Cold-Plasma-Treated Bombyx mori Silk

Molecular dynamic simulations analysis of ritonavir and lopinavir as SARS-CoV 3CL(pro) inhibitors

Molecular dynamics simulations of Krytox-Silica–Nafion composite for high temperature fuel cell electrolyte membranes

Molecular modeling of peroxidase and polyphenol oxidase: substrate specificity and active site comparison

Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum

Monte carlo and molecular dynamics simulations of surface modification of DNA interacted with ultra-low-energy carbon atoms

On the kinetics and reaction mechanisms of boronic acid in interaction with diols for non-enzymatic glucose monitoring applications: a hybrid DFT study

Opportunities and challenges in the development of monoethanolamine and its blends for post-combustion CO2 capture

Pairwise decomposition of residue interaction energies of single chain Fv with HIV-1 p17 epitope variants

Polysulfonate suramin inhibits Zika virus infection

Quantum Mechanics/Molecular Mechanics Modeling of Substrate-Assisted Catalysis in Family 18 Chitinases: Conformational Changes and the Role of Asp142 in Catalysis in ChiB

Rhodamine B-based “turn-on” fluorescent and colorimetric chemosensors for highly sensitive and selective detection of mercury (II) ions

Simultaneous Spectrophotometric Determination of Food Colorants Employing Multivariate Calibration Methods

Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations

Study of interaction between cationic surfactant (CTAB) and paracetamol by electrical conductivity, tensiometric and spectroscopic methods

Synthesis of Molecularly Imprinted Polymers for Nevirapine by Dummy Template Imprinting Approach

Synthesis of a novel fluorescent sensor bearing dansyl fluorophores for the highly selective detection of mercury (II) ions.

The gas phase conformers and vibrational spectra of valine, leucine and isoleucine: An ab initio study

Tin (IV) alkoxide initiator design for poly (d-lactide) synthesis using DFT calculations

Transition state study of cyclization step in peptide catalyzed flavanone synthesis