| scholarly article | Q13442814 |
| P356 | DOI | 10.1002/CPHC.200500510 |
| P698 | PubMed publication ID | 16514695 |
| P50 | author | Daan P Geerke | Q40285012 |
| Wilfred F van Gunsteren | Q52153822 | ||
| P2860 | cites work | An Effective Force Field for Molecular Dynamics Simulations of Dimethyl Sulfoxide and Dimethyl Sulfoxide−Water Mixtures | Q63915597 |
| Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids | Q99192955 | ||
| All-atom empirical potential for molecular modeling and dynamics studies of proteins | Q27860468 | ||
| Comparing the polarities of the amino acids: side-chain distribution coefficients between the vapor phase, cyclohexane, 1-octanol, and neutral aqueous solution | Q29014511 | ||
| Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes | Q29397708 | ||
| The missing term in effective pair potentials | Q29542481 | ||
| A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6 | Q29617517 | ||
| Free energy via molecular simulation: applications to chemical and biomolecular systems | Q38648060 | ||
| Calculation of the free energy of solvation for neutral analogs of amino acid side chains | Q43956197 | ||
| Calculation of the water–cyclohexane transfer free energies of neutral amino acid side‐chain analogs using the OPLS all‐atom force field | Q44600334 | ||
| A general treatment of solubility. 1. The QSPR correlation of solvation free energies of single solutes in series of solvents | Q44665073 | ||
| Modeling nonionic aqueous solutions: the acetone-water mixture | Q45212904 | ||
| A new GROMOS force field for hexopyranose-based carbohydrates | Q46611601 | ||
| Amine hydration: a united-atom force-field solution | Q46630960 | ||
| The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin | Q47682341 | ||
| Solvation free energies of amino acid side chain analogs for common molecular mechanics water models. | Q51633889 | ||
| CHARMM: A program for macromolecular energy, minimization, and dynamics calculations | Q53340989 | ||
| AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions | Q53341450 | ||
| A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules | Q55918670 | ||
| An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase | Q56225272 | ||
| An improved nucleic acid parameter set for the GROMOS force field | Q56225273 | ||
| Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins | Q56776034 | ||
| Predicting aqueous solubilities from aqueous free energies of solvation and experimental or calculated vapor pressures of pure substances | Q57250591 | ||
| Accounting for polarization in molecular simulation | Q57269352 | ||
| Molecular dynamics with coupling to an external bath | Q57569060 | ||
| The GROMOS Biomolecular Simulation Program Package | Q57746723 | ||
| Affinities of amino acid side chains for solvent water | Q57948314 | ||
| A consistent potential energy parameter set for lipids: dipalmitoylphosphatidylcholine as a benchmark of the GROMOS96 45A3 force field | Q58005581 | ||
| Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L | Q58616227 | ||
| Parametrization of aliphatic CHn united atoms of GROMOS96 force field | Q58616298 | ||
| P433 | issue | 3 | |
| P921 | main subject | enthalpy | Q161064 |
| force field | Q1341441 | ||
| P304 | page(s) | 671-678 | |
| P577 | publication date | 2006-03-01 | |
| P1433 | published in | ChemPhysChem | Q2012739 |
| P1476 | title | Force field evaluation for biomolecular simulation: free enthalpies of solvation of polar and apolar compounds in various solvents | |
| P478 | volume | 7 |
| Q37826630 | Accounting for electronic polarization in non-polarizable force fields |
| Q30494073 | Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field |
| Q46862721 | Chemical potential of liquids and mixtures via adaptive resolution simulation |
| Q41906611 | Electronic continuum model for molecular dynamics simulations |
| Q42967065 | Electronic continuum model for molecular dynamics simulations of biological molecules |
| Q34154833 | How sequence determines elasticity of disordered proteins |
| Q41904845 | Polarizable Mean-Field Model of Water for Biological Simulations with Amber and Charmm force fields |
| Q58048746 | Prediction of hydration free energies for aliphatic and aromatic chloro derivatives using molecular dynamics simulations with the OPLS-AA force field |
| Q58048721 | Prediction of hydration free energies for the SAMPL4 diverse set of compounds using molecular dynamics simulations with the OPLS-AA force field |
| Q57634715 | Prediction of then-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulation |
| Q41466309 | Structural properties of methanol-water binary mixtures within the quantum cluster equilibrium model. |
| Q34000276 | Transient hydrogen bonding in uniformly ¹³C,¹⁵N-labeled carbohydrates in water. |
| Q37095169 | Using MD Simulations To Calculate How Solvents Modulate Solubility |
| Q44668468 | Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity |
Search more.