Contact and support
Need help, have a question, or want to contact the ResearchHub team?
© 2026 ResearchHub. Built for responsible scholarly connection.
Research graph
References from Refining AMOEBA Electrostatics for d -Glucose and 1→4-Linked d -Glucose Oligosaccharides. Local targets link to admitted publications; unresolved targets remain external evidence.
Unresolved reference
2008 · External reference
Glycobiology: toward understanding the function of sugars
10.1021/cr940283b · 1996 · External reference
Protein glycosylation: structural and functional aspects
10.1111/j.1432-1033.1993.tb18347.x · 1993 · External reference
Glycosylation in cellular mechanisms of health and disease
10.1016/j.cell.2006.08.019 · 2006 · External reference
Carbohydrates in cell recognition
10.1038/scientificamerican0193-82 · 1993 · External reference
Stuck on sugars–how carbohydrates regulate cell adhesion, recognition, and signaling
10.1007/s10719-019-09876-0 · 2019 · External reference
Proteomic analysis of Candida albicans cell walls reveals covalently bound carbohydrate-active enzymes and adhesins
10.1128/ec.3.4.955-965.2004 · 2004 · External reference
Role of protein glycosylation in host-pathogen interaction
10.3390/cells9041022 · 2020 · External reference
Protozoa lectins and their role in host–pathogen interactions
10.1016/j.biotechadv.2016.06.002 · 2016 · External reference
Innate immune recognition
10.1146/annurev.immunol.20.083001.084359 · 2002 · External reference
Toll-like receptors
10.1146/annurev.immunol.21.120601.141126 · 2003 · External reference
Glucose: Detection and analysis
10.1016/j.foodchem.2015.04.071 · 2015 · External reference
Glucose sensors: A review of current and emerging technology
10.1111/j.1464-5491.2008.02642.x · 2009 · External reference
Dietary energy partition: The central role of glucose
10.3390/ijms21207729 · 2020 · External reference
Rapidly available glucose in foods: an in vitro measurement that reflects the glycemic response
10.1093/ajcn/69.3.448 · 1999 · External reference
Glucose metabolism and hyperglycemia
10.1093/ajcn/87.1.217s · 2008 · External reference
Glycolysis
10.1101/cshperspect.a040535 · 2021 · External reference
Cellulose: fascinating biopolymer and sustainable raw material
10.1002/anie.200460587 · 2005 · External reference
Evaluation of amylose content: Structural and functional properties, analytical techniques, and future prospects
10.1016/j.fochx.2024.101830 · 2024 · External reference
Glycogen and its metabolism: some new developments and old themes
10.1042/bj20111416 · 2012 · External reference
Additive empirical force field for hexopyranose monosaccharides
10.1002/jcc.21004 · 2008 · External reference
Refinement of the drude polarizable force field for hexose monosaccharides: Capturing ring conformational dynamics with enhanced accuracy
10.1021/acs.jctc.4c00656 · 2024 · External reference
Further refinement and validation of the Drude polarizable force field for carboxylate and n-acetyl amine hexopyranose derivatives
10.1021/acs.jctc.5c00369 · 2025 · External reference
GLYCAM06: A generalizable biomolecular force field. Carbohydrates
10.1002/jcc.20820 · 2008 · External reference
Extension and validation of the GLYCAM force field parameters for modeling glycosaminoglycans
10.1139/cjc-2015-0606 · 2016 · External reference
Using geometric criteria to study helix-like structures produced in molecular dynamics simulations of single amylose chains in water
10.1039/d1ra00071c · 2021 · External reference
Comparison of cellooligosaccharide conformations in complexes with proteins with energy maps for cellobiose
10.1016/j.carbpol.2021.118004 · 2021 · External reference
Outstanding properties of the hydration shell around β-d-Glucose: A computational study
10.1021/acsomega.4c00798 · 2024 · External reference
Polarizable force fields for biomolecular simulations: Recent advances and applications
10.1146/annurev-biophys-070317-033349 · 2019 · External reference
Polarizable empirical force field for hexopyranose monosaccharides based on the classical drude oscillator
10.1021/jp412696m · 2015 · External reference
Influence of polarization on carbohydrate hydration: a comparative study using additive and polarizable force fields
10.1021/acs.jpcb.6b05546 · 2016 · External reference
Comparative analysis of protein hydration from MD simulations with additive and polarizable force fields
10.1002/adts.201800106 · 2019 · External reference
Is AMOEBA a Good Force Field for Molecular Dynamics Simulations of Carbohydrates?
10.1021/acs.jcim.5c00442 · 2025 · External reference
Current status of the AMOEBA polarizable force field
10.1021/jp910674d · 2010 · External reference
Polarizable atomic multipole-based AMOEBA force field for proteins
10.1021/ct4003702 · 2013 · External reference
AMOEBA polarizable atomic multipole force field for nucleic acids
10.1021/acs.jctc.7b01169 · 2018 · External reference
Calculation of protein–ligand binding free energy by using a polarizable potential
10.1073/pnas.0711686105 · 2008 · External reference
Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force field
10.1002/jcc.24500 · 2016 · External reference
Accurate host–guest binding free energies using the AMOEBA polarizable force field
10.1021/acs.jcim.3c00155 · 2023 · External reference
Polarizable AMOEBA force field predicts thin and dense hydration layer around monosaccharides
10.1039/d4cc04415k · 2024 · External reference
A review of methods for the calculation of solution free energies and the modelling of systems in solution
10.1039/c5cp00288e · 2015 · External reference
FreeSolv: a database of experimental and calculated hydration free energies, with input files
10.1007/s10822-014-9747-x · 2014 · External reference
Reproducibility of free energy calculations across different molecular simulation software packages
10.1021/acs.jctc.8b00544 · 2018 · External reference
The SAMPL2 blind prediction challenge: introduction and overview
10.1007/s10822-010-9350-8 · 2010 · External reference
A blind challenge for computational solvation free energies: introduction and overview
10.1021/jp806724u · 2009 · External reference
Polarizability rescaling and atom-based Thole scaling in the CHARMM Drude polarizable force field for ethers
10.1007/s00894-009-0572-4 · 2010 · External reference
Polarizable atomic multipole water model for molecular mechanics simulation
10.1021/jp027815+ · 2003 · External reference
Multipole electrostatics in hydration free energy calculations
10.1002/jcc.21681 · 2011 · External reference
Polarizable atomic multipole-based molecular mechanics for organic molecules
10.1021/ct200304d · 2011 · External reference
Evaluating parametrization protocols for hydration free energy calculations with the amoeba polarizable force field
10.1021/acs.jctc.6b00276 · 2016 · External reference
Automation of AMOEBA polarizable force field for small molecules: Poltype 2
10.1002/jcc.26954 · 2022 · External reference
Distributed multipole analysis: Stability for large basis sets
10.1021/ct050190+ · 2005 · External reference
Generating 3D Models of Carbohydrates with GLYCAM-Web
10.1101/2025.05.08.652828 · 2025 · External reference
Tinker 8: software tools for molecular design
10.1021/acs.jctc.8b00529 · 2018 · External reference
Unresolved reference
External reference
Unresolved reference
2025 · External reference
Best practices for computing transport properties 1. Self-diffusivity and viscosity from equilibrium molecular dynamics [article v1. 0]
10.33011/livecoms.1.1.6324 · 2019 · External reference
System-size dependence of diffusion coefficients and viscosities from molecular dynamics simulations with periodic boundary conditions
10.1021/jp0477147 · 2004 · External reference
Viscosity of aqueous carbohydrate solutions at different temperatures and concentrations
10.1080/10942910600673636 · 2007 · External reference
Efficient estimation of free energy differences from Monte Carlo data
10.1016/0021-9991(76)90078-4 · 1976 · External reference
ELECTRIC: Electric fields leveraged from multipole expansion calculations in tinker rapid interface code
10.21105/joss.02576 · 2020 · External reference
Vapor pressures and enthalpies of sublimation of D-glucose, D-xylose, cellobiose, and levoglucosan
10.1021/je980119b · 1999 · External reference
Thermodynamic and transport properties of carbohydrates and their monophosphates: the pentoses and hexoses
10.1063/1.555831 · 1989 · External reference
Gibbs free-energy gradient along the path of glucose transport through human glucose transporter 3
10.1021/acschemneuro.8b00223 · 2018 · External reference
Solution properties of hemicellulose polysaccharides with four common carbohydrate force fields
10.1021/ct500924f · 2015 · External reference
Calculations of absolute solvation free energies with Transformato Application to the FreeSolv database using the CGenFF force field
10.1021/acs.jctc.3c00691 · 2023 · External reference
Density Functional Theory Study of the Cellobiose Model System for Unveiling Cellulose–Water Interactions to Enhance Dewatering and Drying
10.1021/acs.jpca.5c01596 · 2025 · External reference
The hydration of glucose: the local configurations in sugar–water hydrogen bonds
10.1039/b708719e · 2008 · External reference
Insights into the Electronic and Structural Properties of Cellulose and Amylose: A Comparative Force Field Study
10.1021/acs.jpcb.5c07277 · 2026 · External reference
NMR and modelling studies of disaccharide conformation
10.1016/s0008-6215(03)00069-7 · 2003 · External reference
A study of the conformation of β-1, 4-linked glucose oligomers, cellobiose to cellohexaose, in solution
10.1016/s0022-2860(00)00630-x · 2000 · External reference
Exploring Diffusion and Aggregation Behaviors in Carbohydrate Solutions
10.1021/acs.jpcb.5c07628 · 2026 · External reference
Separation of the α-and β-Anomers of Carbohydrates by Diffusion-Ordered NMR Spectroscopy
10.3390/magnetochemistry3040038 · 2017 · External reference
Determination of the diffusion coefficient of monosaccharides with scanning electrochemical microscopy (SECM)
10.1002/elan.200804442 · 2009 · External reference
Diffusion in supersaturated solutions. II. Glucose solutions
10.1021/ja01112a008 · 1953 · External reference
Impact of polarization on the ring puckering dynamics of hexose monosaccharides
10.1021/acs.jcim.2c01286 · 2023 · External reference
Correlated C- C and C- O bond conformations in saccharide hydroxymethyl groups: parametrization and application of redundant 1H- 1H, 13C- 1H, and 13C- 13C NMR J-couplings
10.1021/ja0306718 · 2004 · External reference
1H-NMR studies of (6r)-and (6s)-deuterated d-hexoses: assignment of the preferred rotamers about C5 C6 bond of D-glucose and D-galactose derivatives in solutions
10.1016/s0040-4039(01)90014-0 · 1984 · External reference