These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
124 related articles for article (PubMed ID: 27341007)
1. Evaluating Parametrization Protocols for Hydration Free Energy Calculations with the AMOEBA Polarizable Force Field. Bradshaw RT; Essex JW J Chem Theory Comput; 2016 Aug; 12(8):3871-83. PubMed ID: 27341007 [TBL] [Abstract][Full Text] [Related]
2. Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field. Manzoni F; Söderhjelm P J Comput Aided Mol Des; 2014 Mar; 28(3):235-44. PubMed ID: 24577872 [TBL] [Abstract][Full Text] [Related]
3. Accurate Host-Guest Binding Free Energies Using the AMOEBA Polarizable Force Field. Chung MKJ; Miller RJ; Novak B; Wang Z; Ponder JW J Chem Inf Model; 2023 May; 63(9):2769-2782. PubMed ID: 37075788 [TBL] [Abstract][Full Text] [Related]
4. Three-site and five-site fixed-charge water models compatible with AMOEBA force field. Pan C; Liu C; Peng J; Ren P; Huang X J Comput Chem; 2020 Apr; 41(10):1034-1044. PubMed ID: 31976572 [TBL] [Abstract][Full Text] [Related]
5. Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force field. Mohamed NA; Bradshaw RT; Essex JW J Comput Chem; 2016 Dec; 37(32):2749-2758. PubMed ID: 27757978 [TBL] [Abstract][Full Text] [Related]
6. Multipole electrostatics in hydration free energy calculations. Shi Y; Wu C; Ponder JW; Ren P J Comput Chem; 2011 Apr; 32(5):967-77. PubMed ID: 20925089 [TBL] [Abstract][Full Text] [Related]
7. Three-Dimensional RISM Integral Equation Theory for Polarizable Solute Models. Hoffgaard F; Heil J; Kast SM J Chem Theory Comput; 2013 Nov; 9(11):4718-26. PubMed ID: 26583390 [TBL] [Abstract][Full Text] [Related]
8. An optimized charge penetration model for use with the AMOEBA force field. Rackers JA; Wang Q; Liu C; Piquemal JP; Ren P; Ponder JW Phys Chem Chem Phys; 2016 Dec; 19(1):276-291. PubMed ID: 27901142 [TBL] [Abstract][Full Text] [Related]
9. Automation of AMOEBA polarizable force field for small molecules: Poltype 2. Walker B; Liu C; Wait E; Ren P J Comput Chem; 2022 Sep; 43(23):1530-1542. PubMed ID: 35778723 [TBL] [Abstract][Full Text] [Related]
10. Automation of AMOEBA polarizable force field parameterization for small molecules. Wu JC; Chattree G; Ren P Theor Chem Acc; 2012 Feb; 131(3):1138. PubMed ID: 22505837 [TBL] [Abstract][Full Text] [Related]
11. Polarizable and Non-Polarizable Force Field Representations of Ferric Cation and Validations. Xia M; Chai Z; Wang D J Phys Chem B; 2017 Jun; 121(23):5718-5729. PubMed ID: 28508639 [TBL] [Abstract][Full Text] [Related]
12. Toward polarizable AMOEBA thermodynamics at fixed charge efficiency using a dual force field approach: application to organic crystals. Nessler IJ; Litman JM; Schnieders MJ Phys Chem Chem Phys; 2016 Nov; 18(44):30313-30322. PubMed ID: 27524378 [TBL] [Abstract][Full Text] [Related]
13. Calculating binding free energies of host-guest systems using the AMOEBA polarizable force field. Bell DR; Qi R; Jing Z; Xiang JY; Mejias C; Schnieders MJ; Ponder JW; Ren P Phys Chem Chem Phys; 2016 Nov; 18(44):30261-30269. PubMed ID: 27254477 [TBL] [Abstract][Full Text] [Related]
14. Development of polarizable models for molecular mechanical calculations. 4. van der Waals parametrization. Wang J; Cieplak P; Li J; Cai Q; Hsieh MJ; Luo R; Duan Y J Phys Chem B; 2012 Jun; 116(24):7088-101. PubMed ID: 22612331 [TBL] [Abstract][Full Text] [Related]
15. A Boundary-Integral Approach for the Poisson-Boltzmann Equation with Polarizable Force Fields. Cooper CD J Comput Chem; 2019 Jul; 40(18):1680-1692. PubMed ID: 30889283 [TBL] [Abstract][Full Text] [Related]
16. Comparison of charge models for fixed-charge force fields: small-molecule hydration free energies in explicit solvent. Mobley DL; Dumont E; Chodera JD; Dill KA J Phys Chem B; 2007 Mar; 111(9):2242-54. PubMed ID: 17291029 [TBL] [Abstract][Full Text] [Related]
17. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters. Geerke DP; van Gunsteren WF J Phys Chem B; 2007 Jun; 111(23):6425-36. PubMed ID: 17508737 [TBL] [Abstract][Full Text] [Related]
18. A systematic approach to calibrate a transferable polarizable force field parameter set for primary alcohols. Visscher KM; Vosmeer CR; Luirink RA; Geerke DP J Comput Chem; 2017 Mar; 38(8):508-517. PubMed ID: 28133840 [TBL] [Abstract][Full Text] [Related]
19. Polarizable Atomic Multipole Solutes in a Generalized Kirkwood Continuum. Schnieders MJ; Ponder JW J Chem Theory Comput; 2007 Nov; 3(6):2083-97. PubMed ID: 26636202 [TBL] [Abstract][Full Text] [Related]
20. Polarizable Atomic Multipole X-Ray Refinement: Particle Mesh Ewald Electrostatics for Macromolecular Crystals. Schnieders MJ; Fenn TD; Pande VS J Chem Theory Comput; 2011 Apr; 7(4):1141-56. PubMed ID: 26606362 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]