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Development of Force Field Parameters for p-Carborane to Investigate the Structural Influence of Carborane Derivatives on Drug Targets by Complex Formation

Biological and Pharmaceutical Bulletin, 2020/12/01, Vol.43(12), pp.1931-1939

2020

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Three dimensional structures of putative, primitive proteins to investigate the origin of homochirality

Scientific reports, 2019-08, Vol.9 (1), p.11594-8, Article 11594

2019

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Validation of Molecular Dynamics Simulations for Prediction of Three-Dimensional Structures of Small Proteins

Molecules (Basel, Switzerland), 2017-10, Vol.22 (10), p.1716

2017

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Molecular Dynamics Simulations to Investigate the Influences of Amino Acid Mutations on Protein Three-Dimensional Structures of Cytochrome P450 2D6.1, 2, 10, 14A, 51, and 62

PloS one, 2016-04, Vol.11 (4), p.e0152946-e0152946

2016

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Influences of conformations of peptides on stereoinversions and/or isomerizations of aspartic acid residues

Biochimica et biophysica acta. Proteins and proteomics, 2018-07, Vol.1866 (7), p.783-788

2018

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Molecular Mechanisms of Succinimide Formation from Aspartic Acid Residues Catalyzed by Two Water Molecules in the Aqueous Phase

International journal of molecular sciences, 2021-01, Vol.22 (2), p.509

2021

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Unusual Vilasinin-Class Limonoids from Trichilia rubescens

Molecules (Basel, Switzerland), 2024-01, Vol.29 (3), p.651

2024

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Triazine-Based Cationic Leaving Group: Synergistic Driving Forces for Rapid Formation of Carbocation Species

Journal of organic chemistry, 2018-04, Vol.83 (8), p.4568-4580

2018

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Theoretical study on keto-enol tautomerisation of glutarimide for exploration of the isomerisation reaction pathway of glutamic acid in proteins using density functional theory

Molecular physics, 2017-03, Vol.115 (5), p.560-565

2017

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Computational Studies on Water-Catalyzed Mechanisms for Stereoinversion of Glutarimide Intermediates Formed from Glutamic Acid Residues in Aqueous Phase

International journal of molecular sciences, 2019-05, Vol.20 (10), p.2410

2019

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A Novel Clerodane Diterpene from Vitex cofassus

Chemical and Pharmaceutical Bulletin, 2017/01/01, Vol.65(1), pp.116-120

2017

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Predicting Three-Dimensional Conformations of Peptides Constructed of Only Glycine, Alanine, Aspartic Acid, and Valine

Origins of life and evolution of biospheres, 2015-06, Vol.45 (1-2), p.183-193

2015

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Determination of molecular force field parameters for nitronyl nitroxide derivatives using quantum chemical calculations

Polyhedron, 2017-11, Vol.136, p.93-101

2017

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Exhaustive identification of conserved upstream open reading frames with potential translational regulatory functions from animal genomes

Scientific reports, 2020-10, Vol.10 (1), p.16289-16289, Article 16289

2020

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Validation of molecular force field parameters for peptides including isomerized amino acids

Chirality (New York, N.Y.), 2018-04, Vol.30 (4), p.332-341

2018

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Isolation, Structure Elucidation, and Antiproliferative Activity of Butanolides and Lignan Glycosides from the Fruit of Hernandia nymphaeifolia

Molecules (Basel, Switzerland), 2019-11, Vol.24 (21), p.4005

2019

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Investigation of photoreaction for 2-nitrobenzofuran and its 3-methyl derivative

Journal of photochemistry and photobiology. A, Chemistry., 2015-10, Vol.311, p.137-143

2015

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Corymbulosins I–W, Cytotoxic Clerodane Diterpenes from the Bark of Laetia corymbulosa

Journal of organic chemistry, 2018-01, Vol.83 (2), p.951-963

2018

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Excess sterols disrupt plant cellular activity by inducing stress-responsive gene expression

Journal of plant research, 2020-05, Vol.133 (3), p.383-392

2020

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Prediction of binding modes between protein l-isoaspartyl (d-aspartyl) O-methyltransferase and peptide substrates including isomerized aspartic acid residues using in silico analytic methods for the substrate screening

Journal of pharmaceutical and biomedical analysis, 2015-12, Vol.116, p.116-122

2015

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Prediction of three-dimensional structures and structural flexibilities of wild-type and mutant cytochrome P450 1A2 using molecular dynamics simulations

Journal of molecular graphics & modelling, 2016-07, Vol.68, p.48-56

2016

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Comparison of photoreactions of flutamide in acetonitrile and 2-propanol solvents in the absence of cage-forming compounds

Journal of photochemistry and photobiology. A, Chemistry., 2015-02, Vol.298, p.55-61

2015

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Investigation of substrate recognition for cytochrome P450 1A2 mediated by water molecules using docking and molecular dynamics simulations

Journal of molecular graphics & modelling, 2017-06, Vol.74, p.326-336

2017

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Computational studies on the water‐catalyzed stereoinversion mechanism of glutamic acid residues in peptides and proteins

Chirality (New York, N.Y.), 2018-05, Vol.30 (5), p.527-535

2018

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Excess sterols disrupt plant cellular activity by inducing stress-responsive gene expression

Journal of plant research, 2020-05, Vol.133 (3), p.383-392

2020

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Development of Force Field Parameters for p-Carborane to Investigate the Structural Influence of Carborane Derivatives on Drug Targets by Complex Formation

Three dimensional structures of putative, primitive proteins to investigate the origin of homochirality

Validation of Molecular Dynamics Simulations for Prediction of Three-Dimensional Structures of Small Proteins

Molecular Dynamics Simulations to Investigate the Influences of Amino Acid Mutations on Protein Three-Dimensional Structures of Cytochrome P450 2D6.1, 2, 10, 14A, 51, and 62

Influences of conformations of peptides on stereoinversions and/or isomerizations of aspartic acid residues

Molecular Mechanisms of Succinimide Formation from Aspartic Acid Residues Catalyzed by Two Water Molecules in the Aqueous Phase

Unusual Vilasinin-Class Limonoids from Trichilia rubescens

Triazine-Based Cationic Leaving Group: Synergistic Driving Forces for Rapid Formation of Carbocation Species

Theoretical study on keto-enol tautomerisation of glutarimide for exploration of the isomerisation reaction pathway of glutamic acid in proteins using density functional theory

Computational Studies on Water-Catalyzed Mechanisms for Stereoinversion of Glutarimide Intermediates Formed from Glutamic Acid Residues in Aqueous Phase

A Novel Clerodane Diterpene from Vitex cofassus

Predicting Three-Dimensional Conformations of Peptides Constructed of Only Glycine, Alanine, Aspartic Acid, and Valine

Determination of molecular force field parameters for nitronyl nitroxide derivatives using quantum chemical calculations

Exhaustive identification of conserved upstream open reading frames with potential translational regulatory functions from animal genomes

Validation of molecular force field parameters for peptides including isomerized amino acids

Isolation, Structure Elucidation, and Antiproliferative Activity of Butanolides and Lignan Glycosides from the Fruit of Hernandia nymphaeifolia

Investigation of photoreaction for 2-nitrobenzofuran and its 3-methyl derivative

Corymbulosins I–W, Cytotoxic Clerodane Diterpenes from the Bark of Laetia corymbulosa

Excess sterols disrupt plant cellular activity by inducing stress-responsive gene expression

Prediction of binding modes between protein l-isoaspartyl (d-aspartyl) O-methyltransferase and peptide substrates including isomerized aspartic acid residues using in silico analytic methods for the substrate screening

Prediction of three-dimensional structures and structural flexibilities of wild-type and mutant cytochrome P450 1A2 using molecular dynamics simulations

Comparison of photoreactions of flutamide in acetonitrile and 2-propanol solvents in the absence of cage-forming compounds

Investigation of substrate recognition for cytochrome P450 1A2 mediated by water molecules using docking and molecular dynamics simulations

Computational studies on the water‐catalyzed stereoinversion mechanism of glutamic acid residues in peptides and proteins

Excess sterols disrupt plant cellular activity by inducing stress-responsive gene expression

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