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For: Duboué-Dijon E, Javanainen M, Delcroix P, Jungwirth P, Martinez-Seara H. A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization. J Chem Phys 2020;153:050901. [PMID: 32770904 DOI: 10.1063/5.0017775] [Cited by in Crossref: 13] [Cited by in F6Publishing: 11] [Article Influence: 13.0] [Reference Citation Analysis]
Number Citing Articles
1 Tempra C, Ollila OHS, Javanainen M. Accurate Simulations of Lipid Monolayers Require a Water Model with Correct Surface Tension. J Chem Theory Comput 2022. [PMID: 35133839 DOI: 10.1021/acs.jctc.1c00951] [Reference Citation Analysis]
2 Stachowicz-kuśnierz A, Korchowiec B, Rogalska E, Korchowiec J. The lung surfactant activity probed with molecular dynamics simulations. Advances in Colloid and Interface Science 2022. [DOI: 10.1016/j.cis.2022.102659] [Reference Citation Analysis]
3 Javanainen M, Hua W, Tichacek O, Delcroix P, Cwiklik L, Allen HC. Structural Effects of Cation Binding to DPPC Monolayers. Langmuir 2020;36:15258-69. [PMID: 33296215 DOI: 10.1021/acs.langmuir.0c02555] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 0.5] [Reference Citation Analysis]
4 Deng J, Cui Q. Electronic Polarization Is Essential for the Stabilization and Dynamics of Buried Ion Pairs in Staphylococcal Nuclease Mutants. J Am Chem Soc 2022. [PMID: 35239338 DOI: 10.1021/jacs.2c00312] [Reference Citation Analysis]
5 Jing Z, Rackers JA, Pratt LR, Liu C, Rempe SB, Ren P. Thermodynamics of ion binding and occupancy in potassium channels. Chem Sci 2021;12:8920-30. [PMID: 34257893 DOI: 10.1039/d1sc01887f] [Cited by in Crossref: 3] [Cited by in F6Publishing: 2] [Article Influence: 3.0] [Reference Citation Analysis]
6 Boda D, Valiskó M, Gillespie D. Modeling the Device Behavior of Biological and Synthetic Nanopores with Reduced Models. Entropy (Basel) 2020;22:E1259. [PMID: 33287027 DOI: 10.3390/e22111259] [Cited by in Crossref: 3] [Cited by in F6Publishing: 1] [Article Influence: 1.5] [Reference Citation Analysis]
7 Carter-Fenk KA, Dommer AC, Fiamingo ME, Kim J, Amaro RE, Allen HC. Calcium bridging drives polysaccharide co-adsorption to a proxy sea surface microlayer. Phys Chem Chem Phys 2021;23:16401-16. [PMID: 34318808 DOI: 10.1039/d1cp01407b] [Reference Citation Analysis]
8 Rao S, Klesse G, Lynch CI, Tucker SJ, Sansom MSP. Molecular Simulations of Hydrophobic Gating of Pentameric Ligand Gated Ion Channels: Insights into Water and Ions. J Phys Chem B 2021;125:981-94. [PMID: 33439645 DOI: 10.1021/acs.jpcb.0c09285] [Cited by in Crossref: 3] [Cited by in F6Publishing: 1] [Article Influence: 3.0] [Reference Citation Analysis]
9 Zhu J, Huang J. Methylguanidinium at the Air/Water Interface: A Simulation Study with the Drude Polarizable Force Field. J Phys Chem B 2021;125:393-405. [PMID: 33373260 DOI: 10.1021/acs.jpcb.0c08556] [Reference Citation Analysis]
10 Gresh N, Perahia D. Multimolecular complexes of the phosphodiester anion with Zn(II) or Mg(II) and water molecules-Preliminary validations of a polarizable potential by ab initio quantum chemistry. J Comput Chem 2021;42:1430-46. [PMID: 34101861 DOI: 10.1002/jcc.26555] [Reference Citation Analysis]
11 Chubak I, Scalfi L, Carof A, Rotenberg B. NMR Relaxation Rates of Quadrupolar Aqueous Ions from Classical Molecular Dynamics Using Force-Field Specific Sternheimer Factors. J Chem Theory Comput 2021;17:6006-17. [PMID: 34570493 DOI: 10.1021/acs.jctc.1c00690] [Reference Citation Analysis]
12 Ge Z, Cheng H, Zhang G, Wang L, Qi Z. Mechanism of Extractive Separation of Light Cycle Oil Using a Deep Eutectic Solvent Composed of Tetrabutylphosphonium Bromide and Levulinic Acid. Energy Fuels. [DOI: 10.1021/acs.energyfuels.1c03856] [Reference Citation Analysis]
13 Dhabal D, Patra T. Molecular simulation of osmometry in aqueous solutions of the BMIMCl ionic liquid: a potential route to force field parameterization of liquid mixtures. Phys Chem Chem Phys 2020;22:28325-38. [PMID: 33300529 DOI: 10.1039/d0cp03833d] [Reference Citation Analysis]
14 Miranda-Quintana RA, Smiatek J. Specific Ion Effects in Different Media: Current Status and Future Challenges. J Phys Chem B 2021;125:13840-9. [PMID: 34918938 DOI: 10.1021/acs.jpcb.1c07957] [Reference Citation Analysis]
15 Samantray S, Olubiyi OO, Strodel B. The Influences of Sulphation, Salt Type, and Salt Concentration on the Structural Heterogeneity of Glycosaminoglycans. Int J Mol Sci 2021;22:11529. [PMID: 34768961 DOI: 10.3390/ijms222111529] [Reference Citation Analysis]
16 Amin KS, Hu X, Salahub DR, Baldauf C, Lim C, Noskov S. Benchmarking polarizable and non-polarizable force fields for Ca 2+ –peptides against a comprehensive QM dataset. J Chem Phys 2020;153:144102. [DOI: 10.1063/5.0020768] [Cited by in Crossref: 4] [Cited by in F6Publishing: 4] [Article Influence: 2.0] [Reference Citation Analysis]
17 Nguyen MTH, Tichacek O, Martinez-Seara H, Mason PE, Jungwirth P. Resolving the Equal Number Density Puzzle: Molecular Picture from Simulations of LiCl(aq) and NaCl(aq). J Phys Chem B 2021;125:3153-62. [PMID: 33534574 DOI: 10.1021/acs.jpcb.0c10599] [Reference Citation Analysis]
18 Blazquez S, Conde MM, Abascal JLF, Vega C. The Madrid-2019 force field for electrolytes in water using TIP4P/2005 and scaled charges: Extension to the ions F , Br , I , Rb + , and Cs +. J Chem Phys 2022;156:044505. [DOI: 10.1063/5.0077716] [Reference Citation Analysis]
19 Li Z, Song LF, Li P, Merz KM Jr. Parametrization of Trivalent and Tetravalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models. J Chem Theory Comput 2021;17:2342-54. [PMID: 33793233 DOI: 10.1021/acs.jctc.0c01320] [Cited by in Crossref: 6] [Cited by in F6Publishing: 6] [Article Influence: 6.0] [Reference Citation Analysis]
20 Döpke MF, Hartkamp R. The importance of specifically adsorbed ions for electrokinetic phenomena: Bridging the gap between experiments and MD simulations. J Chem Phys 2021;154:094701. [DOI: 10.1063/5.0038161] [Cited by in Crossref: 4] [Cited by in F6Publishing: 2] [Article Influence: 4.0] [Reference Citation Analysis]
21 Gonzalez MA, Zaragoza A, Lynch CI, Sansom MSP, Valeriani C. Influence of water models on water movement through AQP1. J Chem Phys 2021;155:154502. [PMID: 34686053 DOI: 10.1063/5.0063986] [Reference Citation Analysis]