| scholarly article | Q13442814 |
| P356 | DOI | 10.1002/CPHC.200400542 |
| P8608 | Fatcat ID | release_dy7w73s7mnadve37ineg2k7rqy |
| P698 | PubMed publication ID | 16075431 |
| P50 | author | Chris Oostenbrink | Q30505204 |
| Wilfred F van Gunsteren | Q52153822 | ||
| P2093 | author name string | Daniel Juchli | |
| P2860 | cites work | Comparison of simple potential functions for simulating liquid water | Q26778447 |
| All-atom empirical potential for molecular modeling and dynamics studies of proteins | Q27860468 | ||
| Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes | Q29397708 | ||
| 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 | ||
| The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin | Q47682341 | ||
| 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 | ||
| Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory | Q55968603 | ||
| An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase | Q56225272 | ||
| Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins | Q56776034 | ||
| Molecular dynamics with coupling to an external bath | Q57569060 | ||
| The GROMOS Biomolecular Simulation Program Package | Q57746723 | ||
| Parametrization of aliphatic CHn united atoms of GROMOS96 force field | Q58616298 | ||
| A new method for predicting binding affinity in computer-aided drug design | Q72408636 | ||
| Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids | Q99192955 | ||
| P433 | issue | 9 | |
| P304 | page(s) | 1800-1804 | |
| P577 | publication date | 2005-09-01 | |
| P1433 | published in | ChemPhysChem | Q2012739 |
| P1476 | title | Amine hydration: a united-atom force-field solution | |
| P478 | volume | 6 |
| Q21145303 | A systematic framework for molecular dynamics simulations of protein post-translational modifications |
| Q47977524 | Calculation of binding free energies of inhibitors to plasmepsin II. |
| Q33373402 | Evaluation of an inverse molecular design algorithm in a model binding site |
| Q46973827 | Force field evaluation for biomolecular simulation: free enthalpies of solvation of polar and apolar compounds in various solvents |
| Q26865357 | Rational approaches to improving selectivity in drug design |
| Q58005410 | Reparametrisation of united-atom amine solvation in the GROMOS force field |
| Q50764506 | Time-dependent vibrational spectral analysis of first principles trajectory of methylamine with wavelet transform. |
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