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PVPred-SCM: Improved Prediction and Analysis of Phage Virion Proteins Using a Scoring Card Method

Cells (Basel, Switzerland), 2020-02, Vol.9 (2), p.353

2020

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Structural and transport phenomena of urocanate‐based proton carrier in sulfonated poly(ether ether ketone) membrane composite

Journal of polymer science. Part B, Polymer physics, 2018-12, Vol.56 (24), p.1625-1635

2018

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iUmami-SCM: A Novel Sequence-Based Predictor for Prediction and Analysis of Umami Peptides Using a Scoring Card Method with Propensity Scores of Dipeptides

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.6666-6678

2020

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iBitter-SCM: Identification and characterization of bitter peptides using a scoring card method with propensity scores of dipeptides

Genomics (San Diego, Calif.), 2020-07, Vol.112 (4), p.2813-2822

2020

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A theoretical study of supramolecular aggregation of polydopamine tetramer subunits in aqueous solution

Journal of molecular graphics & modelling, 2021-09, Vol.107, p.107946-107946, Article 107946

2021

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Strontium ferrite oxide (Sr3Fe2O7) decorated TiO2 photoanode improves the photo-absorption and photoelectrochemical cell efficiency

Ceramics international, 2024-09, Vol.50 (18), p.32748-32754

2024

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Density functional theory calculations of hydrogen dissociative adsorption on platinum-involved alloy surfaces

Surface & coatings technology, 2016-11, Vol.306, p.35-40

2016

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Theoretical structures and binding energies of RNA-RNA/cyanine dyes and spectroscopic properties of cyanine dyes

AIP Conference Proceedings, 2014, Vol.1621 (1), p.111

2014

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Proton transfer mechanism of 1,3,5-tri(2-benzimidazolyl) benzene with a unique triple-stranded hydrogen bond network as studied by DFT-MD simulations

Chemical engineering science, 2015-12, Vol.137, p.404-411

2015

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Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides

CrystEngComm, 2015-01, Vol.17 (11), p.2255-2266

2015

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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

Journal of power sources, 2013-05, Vol.229, p.141-148

2013

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DFT Study of Proton Transfer in Methyl Urocanate and Butyl Urocanate

Macromolecular symposia., 2015-08, Vol.354 (1), p.99-103

2015

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Dry and Wet Molecular Dynamics Simulations of Nafion® Polymer Electrolyte Fuel Cell Membrane

Journal of Solid Mechanics and Materials Engineering, 2007, Vol.1(4), pp.556-563

2007

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

Polymer (Guilford), 2010, Vol.51 (20), p.4632-4638

2010

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

Surface & coatings technology, 2012-04, Vol.206 (17), p.3607-3613

2012

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Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazidesElectronic supplementary information (ESI) available: Diagrams illustrating the molecular structures, supramolecular aggregation, Hirshfeld surfaces and fingerprint plots and data describing the intermolecular interactions and NPA charges. CCDC 672064, 933968-933970. For ESI and crystallographic data in CIF format see DOI: 10.1039/c4ce02175d

2015-03

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PVPred-SCM: Improved Prediction and Analysis of Phage Virion Proteins Using a Scoring Card Method

Structural and transport phenomena of urocanate‐based proton carrier in sulfonated poly(ether ether ketone) membrane composite

iUmami-SCM: A Novel Sequence-Based Predictor for Prediction and Analysis of Umami Peptides Using a Scoring Card Method with Propensity Scores of Dipeptides

iBitter-SCM: Identification and characterization of bitter peptides using a scoring card method with propensity scores of dipeptides

A theoretical study of supramolecular aggregation of polydopamine tetramer subunits in aqueous solution

Strontium ferrite oxide (Sr3Fe2O7) decorated TiO2 photoanode improves the photo-absorption and photoelectrochemical cell efficiency

Density functional theory calculations of hydrogen dissociative adsorption on platinum-involved alloy surfaces

Theoretical structures and binding energies of RNA-RNA/cyanine dyes and spectroscopic properties of cyanine dyes

Proton transfer mechanism of 1,3,5-tri(2-benzimidazolyl) benzene with a unique triple-stranded hydrogen bond network as studied by DFT-MD simulations

Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides

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

DFT Study of Proton Transfer in Methyl Urocanate and Butyl Urocanate

Dry and Wet Molecular Dynamics Simulations of Nafion® Polymer Electrolyte Fuel Cell Membrane

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

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

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