Solvation properties of N-acetyl-β-glucosamine: Molecular dynamics study incorporating electrostatic polarization
Published 2011 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Solvation properties of N-acetyl-β-glucosamine: Molecular dynamics study incorporating electrostatic polarization
Authors
Keywords
-
Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 32, Issue 16, Pages 3339-3353
Publisher
Wiley
Online
2011-09-07
DOI
10.1002/jcc.21873
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Quasichemical and structural analysis of polarizable anion hydration
- (2010) David M. Rogers et al. JOURNAL OF CHEMICAL PHYSICS
- Polarization and charge transfer in the hydration of chloride ions
- (2010) Zhen Zhao et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field
- (2010) Christopher M. Baker et al. Journal of Chemical Theory and Computation
- N-Acetyl Side-Chains in Saccharides: NMRJ-Coupling Equations Sensitive to CH−NH and NH−CO Bond Conformations in 2-Acetamido-2-deoxy-aldohexopyranosyl Rings
- (2010) Xiaosong Hu et al. JOURNAL OF ORGANIC CHEMISTRY
- Study of the Soret Effect in Monosaccharide Solutions
- (2010) Pablo Blanco et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Nonadditive Empirical Force Fields for Short-Chain Linear Alcohols: Methanol to Butanol. Hydration Free Energetics and Kirkwood−Buff Analysis Using Charge Equilibration Models
- (2010) Yang Zhong et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Conformational properties of the disaccharide building units of hyaluronan
- (2009) Peter Pogány et al. CARBOHYDRATE RESEARCH
- Importance of the Hydrogen Bonding Network Including Asp52 for Catalysis, as Revealed by Asn59 Mutant Hen Egg-white Lysozymes
- (2009) T. Ose et al. JOURNAL OF BIOCHEMISTRY
- Small Molecule Hydration Free Energies in Explicit Solvent: An Extensive Test of Fixed-Charge Atomistic Simulations
- (2009) David L. Mobley et al. Journal of Chemical Theory and Computation
- CHARMM: The biomolecular simulation program
- (2009) B. R. Brooks et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- CHARMM Additive All-Atom Force Field for Aldopentofuranoses, Methyl-aldopentofuranosides, and Fructofuranose
- (2009) Elizabeth Hatcher et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Many-body effects and simulations of potassium channels
- (2009) C. J. Illingworth et al. PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
- Free Energies of Chemical Reactions in Solution and in Enzymes with Ab Initio Quantum Mechanics/Molecular Mechanics Methods
- (2008) Hao Hu et al. Annual Review of Physical Chemistry
- Catalytic Reaction Mechanism of Goose Egg-white Lysozyme by Molecular Modelling of Enzyme-Substrate Complex
- (2008) H. Hirakawa et al. JOURNAL OF BIOCHEMISTRY
- Statistically optimal analysis of samples from multiple equilibrium states
- (2008) Michael R. Shirts et al. JOURNAL OF CHEMICAL PHYSICS
- Additive empirical force field for hexopyranose monosaccharides
- (2008) Olgun Guvench et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Optimized Parameters for Continuum Solvation Calculations with Carbohydrates
- (2008) David F. Green JOURNAL OF PHYSICAL CHEMISTRY B
- Vibrational Analysis ofN-Acetyl-α-d-glucosamine and β-d-Glucuronic Acid
- (2008) Attila Kovács et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Application of a polarizable force field to calculations of relative protein-ligand binding affinities
- (2008) O. Khoruzhii et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Calculation of protein-ligand binding free energy by using a polarizable potential
- (2008) D. Jiao et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now