Theoretical Study of the Relative Stability of Rotational Conformers of a and ¿-D-Glucopyranose in Gas Phase and Aqueous Solution
Manuel Aguilar
Journal of the American Chemical Society Jacs, 2004
View PDFchevron_right
Relative stability of alternative chair forms and hydroxymethyl conformations of ��-D-glucopyranose
Donald Truhlar
1995
View PDFchevron_right
Ab Initio Studies of the Exocyclic Hydroxymethyl Rotational Surface in α- d -Glucopyranose
Brian Wladkowski
Journal of the American Chemical Society, 1996
View PDFchevron_right
Water structuring around complex solutes: theoretical modeling of α-d-glucopyranose
H. Bizot
Chemical Physics, 1997
View PDFchevron_right
Modelling studies of solvent effects on the conformational stability of agarobiose and neoagarobiose and their relationship to agarose
Serge Perez
International Journal of Biological Macromolecules, 1989
View PDFchevron_right
Solvation shell structure of cyclooctylpyranone in water solvent and its comparative structure, dynamics and dipole moment in HIV protease
Prakash Jha
Physical Chemistry Chemical Physics, 2009
View PDFchevron_right
Gauche effects of glucopyranose by QM/MM-MD simulations
Dr. Nizam Uddin
Springer
View PDFchevron_right
Conformational analysis of GpA and GpAp in aqueous solution by molecular dynamics and statistical methods 1 1Edited by A. R. Fersht
Jesus Giraldo
Journal of Molecular Biology, 1998
View PDFchevron_right
Metadynamics modelling of the solvent effect on primary hydroxyl rotamer equilibria in hexopyranosides
Igor Tvaroška
Carbohydrate Research, 2009
View PDFchevron_right
Conformational analysis of GpA and GpAp in aqueous solution by molecular dynamics and statistical methods
Shoshana Wodak
Journal of Molecular Biology, 1998
View PDFchevron_right
Co-crystallised α- and β-Anomers of 2,3,4,6-Tetra-acetyl-d-glucopyranose, in which the α- and β-Anomers are Randomly Distributed in the Hydrogen-bonded Chains of Molecules
James Wardell
Journal of Chemical Crystallography, 2007
View PDFchevron_right
Molecular dynamics characterization of n-octyl-β- d-glucopyranoside micelle structure in aqueous solution
Lizhong He
Journal of Molecular Graphics & Modelling, 2006
View PDFchevron_right
Ab Initio Molecular Orbital Calculation of Carbohydrate Model Compounds. 3. Effect of the Electric Field on Conformations about the Glycosidic Linkage
Igor Tvaroška
The Journal of Physical Chemistry, 1995
View PDFchevron_right
Conformational Distributions of Phenyl β-D-Glucopyranoside and Gastrodin in Solution by Vibrational Optical Activity and Theoretical Calculations
Mutasem Alshalalfeh
Molecules
View PDFchevron_right
Conformational and Dynamical Properties of Disaccharides in Water: a Molecular Dynamics Study
Riccardo Baron
Biophysical Journal, 2006
View PDFchevron_right
Theoretical Study of Alternative Ring Forms of α- l -Fucopyranose
Gábor I Csonka
Journal of Physical Chemistry A, 1998
View PDFchevron_right
Theoretical studies on the conformation of saccharides. VIII. Solvent effect on the stability of β-cellobiose conformers
Igor Tvaroška
Biopolymers, 1984
View PDFchevron_right
Influence of the Anomeric Conformation in the Intermolecular Interactions of Glucose
Imanol Usabiaga
The journal of physical chemistry letters, 2017
View PDFchevron_right
Conformational free energy maps for globobiose (α-d-Gal< i> p-(1→ 4)-β-d-Gal< i> p) in implicit and explict aqueous solution
Michelle Kuttel
2008
View PDFchevron_right
A 13C spin-lattice relaxation study of solvent effects on the rotational dynamics of methyl glucosides
Photis Dais
Carbohydrate Research, 1989
View PDFchevron_right
Proton magnetic resonance spectrum of cellulose triacetate. Temperature effects, the rotational conformation of the 6-acetoxymethyl group, and computer modelling of methyl 4,6-di- O -acetyl-β-glucopyranoside
Vanga Rao, Françoise Sauriol
Canadian Journal of Chemistry-revue Canadienne De Chimie, 1985
View PDFchevron_right
Solvation properties of N-acetyl-β-glucosamine: Molecular dynamics study incorporating electrostatic polarization
Sandeep Patel
Journal of Computational Chemistry, 2011
View PDFchevron_right
Effects of solvent and anomeric configuration upon the circular dichroism, temperature dependence of amide proton chemical shifts, amide proton exchange rates, and infrared absorption of methyl 2-acetamido-2-deoxy-D-glucopyranosides
David Neidhart, P. Lodwick
Journal of the American Chemical Society, 1989
View PDFchevron_right
Proton magnetic resonance spectrum of cellulose triacetate. Temperature effects, the rotational conformation of the 6-acetoxymethyl group, and computer modelling of methyl 4,6-di-O-acetyl-β-glucopyranoside
Françoise Sauriol
Canadian Journal of Chemistry, 1985
View PDFchevron_right
Structural properties of modified deoxyadenosine structures in solution. Impact of the gauche and anomeric effects on the furanose conformation
Leo Koole
Canadian Journal of Chemistry, 1987
View PDFchevron_right
Role of geometrical relaxation in solution of simple molecules exhibiting anomeric effects
Joseluis Martinez
Journal of Molecular Structure-theochem, 1996
View PDFchevron_right
How Solvent Influences the Anomeric Effect: Roles of Hyperconjugative versus Steric Interactions on the Conformational Preference
Yirong Mo
The Journal of Organic Chemistry, 2014
View PDFchevron_right
Conformational Effects on the Circular Dichroism of Human Carbonic Anhydrase II: A Multilevel Computational Study
Uno Carlsson
PLoS ONE, 2013
View PDFchevron_right
Molecular Dynamics Studies of Human β-Glucuronidase
Ibrahim Ali Noorbatcha
American Journal of Applied Sciences, 2010
View PDFchevron_right