On the public citation graph

Field-SEA: A Model for Computing the Solvation Free Energies of Nonpolar, Polar, and Charged Solutes in Water

0 signed · 97 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/(sici)1097-0134(19990501)35:2<133::aid-prot1>3.0.co;2-nopenalex-snapshot
Effective energy function for proteins in solution
inferredcites →https://doi.org/10.1002/jcc.10052openalex-snapshot
Calculation of the free energy of solvation for neutral analogs of amino acid side chains
inferredcites →https://doi.org/10.1002/jcc.10120openalex-snapshot
Accelerated Poisson–Boltzmann calculations for static and dynamic systems
inferredcites →https://doi.org/10.1002/jcc.10126openalex-snapshot
Effective Born radii in the generalized Born approximation: The importance of being perfect
inferredcites →https://doi.org/10.1002/jcc.20119openalex-snapshot
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
inferredcites →https://doi.org/10.1002/jcc.23181openalex-snapshot
Parameterization of a geometric flow implicit solvation model
inferredcites →https://doi.org/10.1007/s10822-011-9536-8openalex-snapshot
Testing the semi-explicit assembly solvation model in the SAMPL3 community blind test
inferredcites →https://doi.org/10.1007/s10955-011-0232-9openalex-snapshot
Physical Modeling of Aqueous Solvation
inferredcites →https://doi.org/10.1016/0022-2836(71)90324-xopenalex-snapshot
The interpretation of protein structures: Estimation of static accessibility
inferredcites →https://doi.org/10.1016/j.addr.2007.10.006openalex-snapshot
Methodological and cellular aspects that govern the internalization mechanisms of arginine-rich cell-penetrating peptides
inferredcites →https://doi.org/10.1016/j.sbi.2004.03.009openalex-snapshot
Recent advances in the development and application of implicit solvent models in biomolecule simulations
inferredcites →https://doi.org/10.1016/s0021-9258(19)77210-xopenalex-snapshot
The Solubility of Amino Acids and Two Glycine Peptides in Aqueous Ethanol and Dioxane Solutions
inferredcites →https://doi.org/10.1016/s0301-4622(98)00226-9openalex-snapshot
Implicit solvent models
inferredcites →https://doi.org/10.1021/bi00507a030openalex-snapshot
Affinities of amino acid side chains for solvent water
inferredcites →https://doi.org/10.1021/bi034929iopenalex-snapshot
The Effect of Interactions Involving Ionizable Residues Flanking Membrane-Inserted Hydrophobic Helices upon Helix−Helix Interaction
inferredcites →https://doi.org/10.1021/bi9600153openalex-snapshot
Solvation Energies of Amino Acid Side Chains and Backbone in a Family of Host−Guest Pentapeptides
inferredcites →https://doi.org/10.1021/cr960149mopenalex-snapshot
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
inferredcites →https://doi.org/10.1021/ct050097lopenalex-snapshot
Estimation of Absolute Free Energies of Hydration Using Continuum Methods: Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions
inferredcites →https://doi.org/10.1021/ct050183lopenalex-snapshot
Investigation of Salt Bridge Stability in a Generalized Born Solvent Model
inferredcites →https://doi.org/10.1021/ct050196zopenalex-snapshot
Improved Efficiency of Replica Exchange Simulations through Use of a Hybrid Explicit/Implicit Solvation Model
inferredcites →https://doi.org/10.1021/ct1001818openalex-snapshot
An Implicit Solvent Model for SCC-DFTB with Charge-Dependent Radii
inferredcites →https://doi.org/10.1021/ct800409dopenalex-snapshot
Small Molecule Hydration Free Energies in Explicit Solvent: An Extensive Test of Fixed-Charge Atomistic Simulations
inferredcites →https://doi.org/10.1021/j100058a043openalex-snapshot
Accurate Calculation of Hydration Free Energies Using Macroscopic Solvent Models
inferredcites →https://doi.org/10.1021/j100384a009openalex-snapshot
Ion-water interaction potentials derived from free energy perturbation simulations
inferredcites →https://doi.org/10.1021/ja00172a038openalex-snapshot
Semianalytical treatment of solvation for molecular mechanics and dynamics
inferredcites →https://doi.org/10.1021/ja906399eopenalex-snapshot
Oil/Water Transfer Is Partly Driven by Molecular Shape, Not Just Size
inferredcites →https://doi.org/10.1021/ja984414sopenalex-snapshot
Hydrophobic Force Field as a Molecular Alternative to Surface-Area Models
inferredcites →https://doi.org/10.1021/jp0102318openalex-snapshot
Solvation Model Based on Weighted Solvent Accessible Surface Area
inferredcites →https://doi.org/10.1021/jp027815+openalex-snapshot
Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation
inferredcites →https://doi.org/10.1021/jp036508gopenalex-snapshot
Coarse Grained Model for Semiquantitative Lipid Simulations
inferredcites →https://doi.org/10.1021/jp055043mopenalex-snapshot
Surfaces Affect Ion Pairing
inferredcites →https://doi.org/10.1021/jp0667442openalex-snapshot
Comparison of Charge Models for Fixed-Charge Force Fields: Small-Molecule Hydration Free Energies in Explicit Solvent
inferredcites →https://doi.org/10.1021/jp0764384openalex-snapshot
Treating Entropy and Conformational Changes in Implicit Solvent Simulations of Small Molecules
inferredcites →https://doi.org/10.1021/jp300440dopenalex-snapshot
Fast Estimation of Solvation Free Energies for Diverse Chemical Species
inferredcites →https://doi.org/10.1021/jp305226jopenalex-snapshot
Charge Hydration Asymmetry: The Basic Principle and How to Use It to Test and Improve Water Models
inferredcites →https://doi.org/10.1021/jp709958fopenalex-snapshot
Charge Asymmetries in Hydration of Polar Solutes
inferredcites →https://doi.org/10.1021/jp7114912openalex-snapshot
Potential of Mean Force and p K a Profile Calculation for a Lipid Membrane-Exposed Arginine Side Chain
inferredcites →https://doi.org/10.1021/jp8001614openalex-snapshot
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
inferredcites →https://doi.org/10.1021/jp806724uopenalex-snapshot
A Blind Challenge for Computational Solvation Free Energies: Introduction and Overview
inferredcites →https://doi.org/10.1021/jp9020799openalex-snapshot
Restoring Charge Asymmetry in Continuum Electrostatics Calculations of Hydration Free Energies
inferredcites →https://doi.org/10.1021/jp992041ropenalex-snapshot
Calculations of Hydration Entropies of Hydrophobic, Polar, and Ionic Solutes in the Framework of the Langevin Dipoles Solvation Model
inferredcites →https://doi.org/10.1021/jp992712lopenalex-snapshot
Solvation Free Energy of Polar and Nonpolar Molecules in Water: An Extended Interaction Site Integral Equation Theory in Three Dimensions
inferredcites →https://doi.org/10.1021/jp994072sopenalex-snapshot
Modification of the Generalized Born Model Suitable for Macromolecules
inferredcites →https://doi.org/10.1038/319199a0openalex-snapshot
Solvation energy in protein folding and binding
inferredcites →https://doi.org/10.1038/nsb1096-842openalex-snapshot
Experimentally determined hydrophobicity scale for proteins at membrane interfaces
inferredcites →https://doi.org/10.1063/1.1336570openalex-snapshot
Generalized solvent boundary potential for computer simulations
inferredcites →https://doi.org/10.1063/1.1587119openalex-snapshot
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins
inferredcites →https://doi.org/10.1063/1.1644536openalex-snapshot
Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior
inferredcites →https://doi.org/10.1063/1.1750387openalex-snapshot
The Free Energy of Hydration of Gaseous Ions, and the Absolute Potential of the Normal Calomel Electrode
inferredcites →https://doi.org/10.1063/1.2171192openalex-snapshot
Coupling nonpolar and polar solvation free energies in implicit solvent models
inferredcites →https://doi.org/10.1063/1.445869openalex-snapshot
Comparison of simple potential functions for simulating liquid water
inferredcites →https://doi.org/10.1063/1.456845openalex-snapshot
A surface constrained all-atom solvent model for effective simulations of polar solutions
inferredcites →https://doi.org/10.1063/1.466711openalex-snapshot
Finite representation of an infinite bulk system: Solvent boundary potential for computer simulations
inferredcites →https://doi.org/10.1073/pnas.0600118103openalex-snapshot
Assessing implicit models for nonpolar mean solvation forces: The importance of dispersion and volume terms
inferredcites →https://doi.org/10.1073/pnas.1017130108openalex-snapshot
Modeling aqueous solvation with semi-explicit assembly
inferredcites →https://doi.org/10.1073/pnas.181342398openalex-snapshot
Electrostatics of nanosystems: Application to microtubules and the ribosome
inferredcites →https://doi.org/10.1073/pnas.84.10.3086openalex-snapshot
Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptides.
inferredcites →https://doi.org/10.1073/pnas.93.17.8951openalex-snapshot
An information theory model of hydrophobic interactions.
inferredcites →https://doi.org/10.1126/science.256.5054.213openalex-snapshot
An SCF Solvation Model for the Hydrophobic Effect and Absolute Free Energies of Aqueous Solvation
inferredcites →https://doi.org/10.1126/science.7761829openalex-snapshot
Classical Electrostatics in Biology and Chemistry
inferredcites →https://doi.org/10.1146/annurev.cellbio.21.020404.145837openalex-snapshot
How Does Voltage Open an Ion Channel?

What points at this work

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

inferred← citeshttps://doi.org/10.2139/ssrn.4881851openalex-extracted
Highly Efficient Porous Mxene Desalination Membranes Controlled by the Thickness of the Transition Metal Carbides
inferred← citeshttps://doi.org/10.1002/cssc.201903132openalex-snapshot
Atomic Force Microscopy and Molecular Dynamics Simulations for Study of Lignin Solution Self‐Assembly Mechanisms in Organic–Aqueous Solvent Mixtures
inferred← citeshttps://doi.org/10.1002/jcc.24740openalex-snapshot
“Solvent hydrogen‐bond occlusion”: A new model of polar desolvation for biomolecular energetics
inferred← citeshttps://doi.org/10.1002/wcms.1347openalex-snapshot
Water models for biomolecular simulations
inferred← citeshttps://doi.org/10.1007/s10822-014-9712-8openalex-snapshot
Testing the semi-explicit assembly model of aqueous solvation in the SAMPL4 challenge
inferred← citeshttps://doi.org/10.1007/s10822-014-9747-xopenalex-snapshot
FreeSolv: a database of experimental and calculated hydration free energies, with input files
inferred← citeshttps://doi.org/10.1007/s10822-016-9961-9openalex-snapshot
Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules
inferred← citeshttps://doi.org/10.1016/j.bpj.2018.01.040openalex-snapshot
Hexahydrated Mg2+ Binding and Outer-Shell Dehydration on RNA Surface
inferred← citeshttps://doi.org/10.1016/j.bpj.2018.12.006openalex-snapshot
Predicting RNA-Metal Ion Binding with Ion Dehydration Effects
inferred← citeshttps://doi.org/10.1016/j.cjche.2018.02.013openalex-snapshot
Salt effect on the liquid–liquid equilibrium of the ternary (water + phenol + methyl isobutyl ketone) system: Experimental data and correlation
inferred← citeshttps://doi.org/10.1016/j.jct.2023.107228openalex-snapshot
Determination and molecular simulation of ternary solid–liquid phase equilibrium of succinic acid + maleic acid + water from 283.15 K to 333.15 K
inferred← citeshttps://doi.org/10.1016/j.memsci.2024.123468openalex-snapshot
Highly efficient porous MXene desalination membranes controlled by the thickness of the transition metal carbides
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.116615openalex-snapshot
Liquid-liquid equilibria of aqueous two-phase systems formed by Triton X-100 surfactant and thiocyanate salts
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.116766openalex-snapshot
Ternary solid–liquid phase equilibrium and phase diagram for DL-malic acid+fumaric acid+water system and molecular simulation
inferred← citeshttps://doi.org/10.1016/j.seppur.2023.124265openalex-snapshot
Improvement of desalination performance by adjusting the arrangement of lamellar MXene membrane
inferred← citeshttps://doi.org/10.1016/j.seppur.2026.139538openalex-snapshot
Green refining of mecobalamin via ternary co-antisolvent crystallization: From molecular shielding mechanism to closed-loop solvent recovery
inferred← citeshttps://doi.org/10.1021/acs.chemrev.7b00259openalex-snapshot
How Water’s Properties Are Encoded in Its Molecular Structure and Energies
inferred← citeshttps://doi.org/10.1021/acs.jctc.6c01031openalex-snapshot
Efficient Computation of Physical Charging Free Energies for Monatomic Ions at Any Charge along Alchemical Charging Pathways
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b01157openalex-snapshot
Free Energy Calculations Based on Coupling Proximal Distribution Functions and Thermodynamic Cycles
inferred← citeshttps://doi.org/10.1021/acs.jpcb.4c00254openalex-snapshot
Inclusion of Water Multipoles into the Implicit Solvation Framework Leads to Accuracy Gains
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b00602openalex-snapshot
Accurate Evaluation of Charge Asymmetry in Aqueous Solvation
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b01982openalex-snapshot
Hydration in Discrete Water (II): From Neutral to Charged Solutes
inferred← citeshttps://doi.org/10.1021/acs.jpcb.6b02156openalex-snapshot
Origin of Asymmetric Solvation Effects for Ions in Water and Organic Solvents Investigated Using Molecular Dynamics Simulations: The Swain Acity–Basity Scale Revisited
inferred← citeshttps://doi.org/10.1021/acs.jpcb.6b09528openalex-snapshot
Nonpolar Solvation Free Energy from Proximal Distribution Functions
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b07842openalex-snapshot
Protein Translocation through a MoS2 Nanopore:A Molecular Dynamics Study
inferred← citeshttps://doi.org/10.1021/acs.langmuir.0c03255openalex-snapshot
Cationic Side Chain Identity Directs the Hydrophobically Driven Self-Assembly of Amphiphilic β-Peptides in Aqueous Solution
inferred← citeshttps://doi.org/10.1021/acs.macromol.0c00683openalex-snapshot
Active Role of Water in the Hydration of Macromolecules with Ionic End Group for Hydrophobic Effect-Caused Assembly
inferred← citeshttps://doi.org/10.1021/jacs.7b08367openalex-snapshot
Nonadditive Interactions Mediated by Water at Chemically Heterogeneous Surfaces: Nonionic Polar Groups and Hydrophobic Interactions
inferred← citeshttps://doi.org/10.1021/jp501141jopenalex-snapshot
Using Interpolation for Fast and Accurate Calculation of Ion–Ion Interactions
inferred← citeshttps://doi.org/10.1038/nature14018openalex-snapshot
Modulation of hydrophobic interactions by proximally immobilized ions
inferred← citeshttps://doi.org/10.1038/s41467-017-02529-6openalex-snapshot
MXene molecular sieving membranes for highly efficient gas separation
inferred← citeshttps://doi.org/10.1039/c9gc03624eopenalex-snapshot
Solvent effect on xylose conversion under catalyst-free conditions: insights from molecular dynamics simulation and experiments
inferred← citeshttps://doi.org/10.1039/d1ra05463eopenalex-snapshot
A minireview on the perturbation effects of polar groups to direct nanoscale hydrophobic interaction and amphiphilic peptide assembly
inferred← citeshttps://doi.org/10.1039/d3sc04617fopenalex-snapshot
Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects
inferred← citeshttps://doi.org/10.1063/1.4900890openalex-snapshot
Small molecule solvation changes due to the presence of salt are governed by the cost of solvent cavity formation and dispersion
inferred← citeshttps://doi.org/10.1201/9781003306511-43openalex-snapshot
MXene Molecular Sieving Membranes for Highly Efficient Gas Separation
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.