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DFTMD studies of glucose and epimers: anomeric ratios, rotamer populations, and hydration energies

Carbohydrate research, 2010-02, Vol.345 (4), p.503-511

2010

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DFTMD studies of β-cellobiose: conformational preference using implicit solvent

Carbohydrate research, 2011-04, Vol.346 (5), p.619-630

2011

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Rapidly calculated DFT relaxed iso-potential ϕ/ψ maps: β-cellobiose

Cellulose (London), 2011-08, Vol.18 (4), p.859-887

2011

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B3LYP/6-311++G study of monohydrates of α- and β- d-glucopyranose: hydrogen bonding, stress energies, and effect of hydration on internal coordinates

Carbohydrate research, 2004-02, Vol.339 (3), p.553-567

2004

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Validation of the general purpose QUANTA ®3.2/CHARMm® force field

Journal of computational chemistry, 1992-09, Vol.13 (7), p.888-900

1992

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Computational Studies on Carbohydrates: I. Density Functional Ab Initio Geometry Optimization on Maltose Conformations

Journal of computational chemistry, 2000-10, Vol.21 (13), p.1204-1219

2000

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Computational studies on carbohydrates: in vacuo studies using a revised AMBER force field, AMB99C, designed for α-(1→4) linkages

Carbohydrate research, 2000-06, Vol.326 (3), p.194-209

2000

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Importance of correlation-gradient geometry optimization for molecular conformational analyses

Journal of the American Chemical Society, 1992-06, Vol.114 (13), p.5369-5377

1992

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Computational studies on carbohydrates: solvation studies on maltose and cyclomaltooligosaccharides (cyclodextrins) using a DFT/ab initio-derived empirical force field, AMB99C

Carbohydrate research, 2000-06, Vol.326 (3), p.210-226

2000

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Validating empirical force fields for molecular-level simulation of cellulose dissolution

Computational and theoretical chemistry, 2012-03, Vol.984, p.119-127

2012

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Male-specific sesquiterpenes from Phyllotreta and Aphthona flea beetles

Journal of chemical ecology, 2001-12, Vol.27 (12), p.2397-2423

2001

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On the in vitro and in vivo activity of a new synthetic hexapeptide that acts on the pituitary to specifically release growth hormone

Endocrinology (Philadelphia), 1984-05, Vol.114 (5), p.1537-1545

1984

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Structural Characterization of α-Zein

Journal of agricultural and food chemistry, 2006-01, Vol.54 (2), p.543-547

2006

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Speculations on the Mechanism of Hormone-Receptor Interactions of the Secretin/Glucagon Family of Polypeptide Hormones Derived from Computational Structural Studies

Annals of the New York Academy of Sciences, 1996-12, Vol.805 (1), p.172-181

1996

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Modeling bacterial UDP-HexNAc: polyprenol-P HexNAc-1-P transferases

Glycobiology (Oxford), 2005-09, Vol.15 (9), p.29R-42R

2005

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Tryptophan 67 in the human VPAC(1) receptor: crucial role for VIP binding

Biochemical and biophysical research communications, 2000-09, Vol.276 (2), p.654

2000

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Conformational energy studies and in vitro and in vivo activity data on growth hormone-releasing peptides

Endocrinology (Philadelphia), 1984-05, Vol.114 (5), p.1531-1536

1984

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Variables determining the growth hormone response of His-D-Trp-Ala-Trp-D-Phe-Lys-NH2 in the rat

Endocrinology (Philadelphia), 1985-10, Vol.117 (4), p.1441-1447

1985

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Conformational energy analysis of the molecule, luteinizing hormone-releasing hormone. 1. Native decapeptide

Journal of the American Chemical Society, 1976-05, Vol.98 (10), p.2990-2996

Momany, F. A

1976

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DFT study of α- and β- d-galactopyranose at the B3LYP/6-311++G level of theory

Carbohydrate research, 2006-03, Vol.341 (4), p.525-537

2006

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B3LYP/6-311++G geometry-optimization study of pentahydrates of α- and β- d-glucopyranose

Carbohydrate research, 2005-07, Vol.340 (9), p.1638-1655

2005

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DFT study of α- and β- d-mannopyranose at the B3LYP/6-311++G level

Carbohydrate research, 2005-02, Vol.340 (3), p.459-468

2005

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Design, synthesis, and biological activity of peptides which release growth hormone in vitro

Endocrinology (Philadelphia), 1981-01, Vol.108 (1), p.31-39

1981

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Conformational energy analysis of the molecule, luteinizing hormone-releasing hormone. 2. Tetrapeptide and decapeptide analogues

Journal of the American Chemical Society, 1976-05, Vol.98 (10), p.2996-3000

Momany, F. A

1976

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Structure-activity relationships of a synthetic pentapeptide that specifically releases growth hormone in vitro

Endocrinology (Philadelphia), 1980-03, Vol.106 (3), p.663-667

1980

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DFTMD studies of glucose and epimers: anomeric ratios, rotamer populations, and hydration energies

DFTMD studies of β-cellobiose: conformational preference using implicit solvent

Rapidly calculated DFT relaxed iso-potential ϕ/ψ maps: β-cellobiose

B3LYP/6-311++G study of monohydrates of α- and β- d-glucopyranose: hydrogen bonding, stress energies, and effect of hydration on internal coordinates

Validation of the general purpose QUANTA ®3.2/CHARMm® force field

Computational Studies on Carbohydrates: I. Density Functional Ab Initio Geometry Optimization on Maltose Conformations

Computational studies on carbohydrates: in vacuo studies using a revised AMBER force field, AMB99C, designed for α-(1→4) linkages

Importance of correlation-gradient geometry optimization for molecular conformational analyses

Computational studies on carbohydrates: solvation studies on maltose and cyclomaltooligosaccharides (cyclodextrins) using a DFT/ab initio-derived empirical force field, AMB99C

Validating empirical force fields for molecular-level simulation of cellulose dissolution

Male-specific sesquiterpenes from Phyllotreta and Aphthona flea beetles

On the in vitro and in vivo activity of a new synthetic hexapeptide that acts on the pituitary to specifically release growth hormone

Structural Characterization of α-Zein

Speculations on the Mechanism of Hormone-Receptor Interactions of the Secretin/Glucagon Family of Polypeptide Hormones Derived from Computational Structural Studies

Modeling bacterial UDP-HexNAc: polyprenol-P HexNAc-1-P transferases

Tryptophan 67 in the human VPAC(1) receptor: crucial role for VIP binding

Conformational energy studies and in vitro and in vivo activity data on growth hormone-releasing peptides

Variables determining the growth hormone response of His-D-Trp-Ala-Trp-D-Phe-Lys-NH2 in the rat

Conformational energy analysis of the molecule, luteinizing hormone-releasing hormone. 1. Native decapeptide

DFT study of α- and β- d-galactopyranose at the B3LYP/6-311++G level of theory

B3LYP/6-311++G geometry-optimization study of pentahydrates of α- and β- d-glucopyranose

DFT study of α- and β- d-mannopyranose at the B3LYP/6-311++G level

Design, synthesis, and biological activity of peptides which release growth hormone in vitro

Conformational energy analysis of the molecule, luteinizing hormone-releasing hormone. 2. Tetrapeptide and decapeptide analogues

Structure-activity relationships of a synthetic pentapeptide that specifically releases growth hormone in vitro

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