163 related articles for article (PubMed ID: 36190318)
1. Fast Polarizable Water Model for Atomistic Simulations.
Xiong Y; Izadi S; Onufriev AV
J Chem Theory Comput; 2022 Oct; 18(10):6324-6333. PubMed ID: 36190318
[TBL] [Abstract][Full Text] [Related]
2. General Purpose Water Model Can Improve Atomistic Simulations of Intrinsically Disordered Proteins.
Shabane PS; Izadi S; Onufriev AV
J Chem Theory Comput; 2019 Apr; 15(4):2620-2634. PubMed ID: 30865832
[TBL] [Abstract][Full Text] [Related]
3. Assessing the Current State of Amber Force Field Modifications for DNA.
Galindo-Murillo R; Robertson JC; Zgarbová M; Šponer J; Otyepka M; Jurečka P; Cheatham TE
J Chem Theory Comput; 2016 Aug; 12(8):4114-27. PubMed ID: 27300587
[TBL] [Abstract][Full Text] [Related]
4. Effects of force fields on the conformational and dynamic properties of amyloid β(1-40) dimer explored by replica exchange molecular dynamics simulations.
Watts CR; Gregory A; Frisbie C; Lovas S
Proteins; 2018 Mar; 86(3):279-300. PubMed ID: 29235155
[TBL] [Abstract][Full Text] [Related]
5. RNA-protein complexes and force field polarizability.
Baltrukevich H; Bartos P
Front Chem; 2023; 11():1217506. PubMed ID: 37426330
[TBL] [Abstract][Full Text] [Related]
6. Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding.
Kamenik AS; Handle PH; Hofer F; Kahler U; Kraml J; Liedl KR
J Chem Phys; 2020 Nov; 153(18):185102. PubMed ID: 33187403
[TBL] [Abstract][Full Text] [Related]
7. Influence of polarization on structural, thermodynamic, and dynamic properties of ionic liquids obtained from molecular dynamics simulations.
Bedrov D; Borodin O; Li Z; Smith GD
J Phys Chem B; 2010 Apr; 114(15):4984-97. PubMed ID: 20337454
[TBL] [Abstract][Full Text] [Related]
8. Extraction of Dielectric Permittivity from Atomistic Molecular Dynamics Simulations and Microwave Measurements.
Saad-Falcon A; Zhang Z; Ryoo D; Dee J; Westafer RS; Gumbart JC
J Phys Chem B; 2022 Oct; 126(40):8021-8029. PubMed ID: 36171073
[TBL] [Abstract][Full Text] [Related]
9. Balanced Three-Point Water Model OPC3-B for Intrinsically Disordered and Ordered Proteins.
Pan Z; Mu J; Chen HF
J Chem Theory Comput; 2023 Aug; 19(15):4837-4850. PubMed ID: 37452752
[TBL] [Abstract][Full Text] [Related]
10. Secondary structure dependence of amyloid-β(1-40) on simulation techniques and force field parameters.
Caliskan M; Mandaci SY; Uversky VN; Coskuner-Weber O
Chem Biol Drug Des; 2021 May; 97(5):1100-1108. PubMed ID: 33580600
[TBL] [Abstract][Full Text] [Related]
11. Comparison of selected polarizable and nonpolarizable water models in molecular dynamics simulations of ice I(h).
Gladich I; Roeselová M
Phys Chem Chem Phys; 2012 Aug; 14(32):11371-85. PubMed ID: 22801804
[TBL] [Abstract][Full Text] [Related]
12. Pairwise-additive and polarizable atomistic force fields for molecular dynamics simulations of proteins.
Lemkul JA
Prog Mol Biol Transl Sci; 2020; 170():1-71. PubMed ID: 32145943
[TBL] [Abstract][Full Text] [Related]
13. Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations using Drude oscillator polarizable and nonpolarizable models.
Neyt JC; Wender A; Lachet V; Ghoufi A; Malfreyt P
Phys Chem Chem Phys; 2013 Jul; 15(28):11679-90. PubMed ID: 23752676
[TBL] [Abstract][Full Text] [Related]
14. Influence of Polarization on Carbohydrate Hydration: A Comparative Study Using Additive and Polarizable Force Fields.
Pandey P; Mallajosyula SS
J Phys Chem B; 2016 Jul; 120(27):6621-33. PubMed ID: 27266974
[TBL] [Abstract][Full Text] [Related]
15. Modeling structural interconversion in Alzheimers' amyloid beta peptide with classical and intrinsically disordered protein force fields.
Wu KY; Doan D; Medrano M; Chang CA
J Biomol Struct Dyn; 2022; 40(20):10005-10022. PubMed ID: 34152264
[TBL] [Abstract][Full Text] [Related]
16. Molecular dynamics simulations of nonpolarizable inorganic salt solution interfaces: NaCl, NaBr, and NaI in transferable intermolecular potential 4-point with charge dependent polarizability (TIP4P-QDP) water.
Bauer BA; Patel S
J Chem Phys; 2010 Jan; 132(2):024713. PubMed ID: 20095700
[TBL] [Abstract][Full Text] [Related]
17. Temperature Induced Dynamical Transition of Biomolecules in Polarizable and Nonpolarizable TIP3P Water.
Pathak AK; Bandyopadhyay T
J Chem Theory Comput; 2019 Apr; 15(4):2706-2718. PubMed ID: 30849227
[TBL] [Abstract][Full Text] [Related]
18. Comparison and Evaluation of Force Fields for Intrinsically Disordered Proteins.
Rahman MU; Rehman AU; Liu H; Chen HF
J Chem Inf Model; 2020 Oct; 60(10):4912-4923. PubMed ID: 32816485
[TBL] [Abstract][Full Text] [Related]
19. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
Patel S; Mackerell AD; Brooks CL
J Comput Chem; 2004 Sep; 25(12):1504-14. PubMed ID: 15224394
[TBL] [Abstract][Full Text] [Related]
20. Predicting molecular properties of α-synuclein using force fields for intrinsically disordered proteins.
Pedersen KB; Flores-Canales JC; Schiøtt B
Proteins; 2023 Jan; 91(1):47-61. PubMed ID: 35950933
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
