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Polarizable Empirical Force Field for Acyclic Polyalcohols Based on the Classical Drude Oscillator

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Secondary structure changes and peptic hydrolysis of beta-lactoglobulin induced by diols.

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Secondary structure changes and peptic hydrolysis of β-lactoglobulin induced by diols

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Quantitative Characterization of Local Protein Solvation To Predict Solvent Effects on Protein Structure

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Molecular dynamics simulations of glycerol glass-forming liquid

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Structural influence of mono and polyhydric alcohols on the stabilization of collagen

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Predict the glass transition temperature of glycerol–water binary cryoprotectant by molecular dynamic simulation

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Human oocyte vitrification: the permeability of metaphase II oocytes to water and ethylene glycol and the appliance toward vitrification

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Prediction of thermodynamic, transport and vapor–liquid equilibrium properties of binary mixtures of ethylene glycol and water

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Erythritol is a sweet antioxidant

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Molecular dynamics simulation of liquid ethylene glycol and its aqueous solution

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Polymer-protein interactions. Comparison of experiment and excluded volume theory.

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Hydration properties of xylitol: computer simulation

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The effects of polyols on the thermal stability of calf thymus DNA

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Molecular dynamics simulation with atomic partial charges update of erythtrol in water

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Polyol-induced molten globule of cytochrome c: an evidence for stabilization by hydrophobic interaction

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The dielectric relaxation of supercooled ethyleneglycol-water mixtures

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The Peptide Backbone Plays a Dominant Role in Protein Stabilization by Naturally Occurring Osmolytes

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Mechanisms of Protein Stabilization and Prevention of Protein Aggregation by Glycerol

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Sugars and Polyols Inhibit Fibrillogenesis of Type I Collagen by Disrupting Hydrogen-Bonded Water Bridges between the Helices

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Transferable Potentials for Phase Equilibria. 6. United-Atom Description for Ethers, Glycols, Ketones, and Aldehydes

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Evaluation and Optimization of a Force Field for Crystalline Forms of Mannitol and Sorbitol

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Thermal Stability of Proteins in Aqueous Polyol Solutions: Role of the Surface Tension of Water in the Stabilizing Effect of Polyols

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Molecular dynamics simulation of nanoconfined glycerol

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Effects of co-solvents on peptide hydration water structure and dynamics

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Conformation of polyols in water. Molecular-dynamics simulation of mannitol and sorbitol

inferredcites →https://doi.org/10.1039/ft9928800437openalex-snapshot

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Comparison of Langevin and molecular dynamics simulations. Equilibrium and dynamics of ethylene glycol in water

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Antiplasticization and local elastic constants in trehalose and glycerol mixtures

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Features of supercooled glycerol dynamics

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Similarity of the Effects ofErythritol and Xylitol on SomeRisk Factors of Dental Caries

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What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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ABCG2: A Milestone Charge Model for Accurate Solvation Free Energy Calculation

inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00262openalex-snapshot

Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic Lipids

inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00175openalex-snapshot

CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses

inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00327openalex-snapshot

Drude Polarizable Force Field Parametrization of Carboxylate and N -Acetyl Amine Carbohydrate Derivatives

inferred← citeshttps://doi.org/10.1021/acs.jpcb.0c11571openalex-snapshot

Ion Pairing and Dielectric Decrement in Glycosaminoglycan Brushes

inferred← citeshttps://doi.org/10.1021/acs.jpcb.4c04100openalex-snapshot

CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b01767openalex-snapshot

CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b11999openalex-snapshot

Computational Analysis of Sugar Alcohols as Phase-Change Material: Insight into the Molecular Mechanism of Thermal Energy Storage

inferred← citeshttps://doi.org/10.1021/acsomega.7b01556openalex-snapshot

Controlled Separation and Release of Organoiodine Compounds Using Poly(2-methoxyethyl acrylate)-Analogue Microspheres

inferred← citeshttps://doi.org/10.1021/bk-2018-1290.ch007openalex-snapshot

The Role of Molecular Modeling in Predicting Carbohydrate Antigen Conformation and Understanding Vaccine Immunogenicity

inferred← citeshttps://doi.org/10.1021/ct400781bopenalex-snapshot

Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator

inferred← citeshttps://doi.org/10.1021/jp4096198openalex-snapshot

Solvation of Hydrogen Sulfide in Liquid Water and at the Water–Vapor Interface Using a Polarizable Force Field

inferred← citeshttps://doi.org/10.1021/jp412696mopenalex-snapshot

Polarizable Empirical Force Field for Hexopyranose Monosaccharides Based on the Classical Drude Oscillator

inferred← citeshttps://doi.org/10.1021/jp503469sopenalex-snapshot

Balancing the Interactions of Ions, Water, and DNA in the Drude Polarizable Force Field

inferred← citeshttps://doi.org/10.1021/jz501315hopenalex-snapshot

Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model

inferred← citeshttps://doi.org/10.1039/c4cp02493aopenalex-snapshot

Assessing the hydration free energy of a homologous series of polyols with classical and quantum mechanical solvation models

inferred← citeshttps://doi.org/10.1063/1.4818731openalex-snapshot

Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields

inferred← citeshttps://doi.org/10.1063/1.4901513openalex-snapshot

Direct computation of parameters for accurate polarizable force fields

inferred← citeshttps://doi.org/10.1063/1.4984113openalex-snapshot

Mapping the Drude polarizable force field onto a multipole and induced dipole model

inferred← citeshttps://doi.org/10.1063/5.0345546openalex-snapshot

MPID polarizable force field: GPU implementation and biomolecular simulations

inferred← citeshttps://doi.org/10.1115/1.4045667openalex-snapshot

Contribution of the Hydroxyl Group on Interfacial Heat Conduction of Monohydric Alcohols: A Molecular Dynamics Study

inferred← citeshttps://doi.org/10.1146/annurev-biophys-091720-102019openalex-snapshot

Biomolecular Modeling and Simulation: A Prospering Multidisciplinary Field

inferred← citeshttps://doi.org/10.1201/b18799-4openalex-snapshot

Force-Field Representation of Biomolecular Systems

inferred← citeshttps://doi.org/10.1201/b18799-7openalex-snapshot

- Force-Field Representation of Biomolecular Systems

inferred← citeshttps://doi.org/10.1201/b21343-10openalex-snapshot

Explicit Inclusion of Induced Polarization in Atomistic Force Fields Based on the Classical Drude Oscillator Model

inferred← citeshttps://doi.org/10.1201/b21343-9openalex-snapshot

Explicit Inclusion of Induced Polarization in Atomistic Force Fields Based on the Classical Drude Oscillator Model

inferred← citeshttps://doi.org/10.3390/ijms21207702openalex-snapshot

Three-Dimensional Structures of Carbohydrates and Where to Find Them

inferred← citeshttps://doi.org/10.70675/50f1b587zb4c5z4f4aza0d9zc290eaa95d95openalex-snapshot

Development of force field methods

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