{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,7]],"date-time":"2026-05-07T19:18:53Z","timestamp":1778181533953,"version":"3.51.4"},"reference-count":65,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2023,2,6]],"date-time":"2023-02-06T00:00:00Z","timestamp":1675641600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"National Key Research and Development Program of China","award":["2021YFA1200404"],"award-info":[{"award-number":["2021YFA1200404"]}]},{"name":"National Key Research and Development Program of China","award":["T2241002"],"award-info":[{"award-number":["T2241002"]}]},{"name":"National Key Research and Development Program of China","award":["12204547"],"award-info":[{"award-number":["12204547"]}]},{"name":"National Key Research and Development Program of China","award":["11904231"],"award-info":[{"award-number":["11904231"]}]},{"name":"National Key Research and Development Program of China","award":["19YF1434100"],"award-info":[{"award-number":["19YF1434100"]}]},{"name":"National Natural Science Foundation of China Projects","award":["2021YFA1200404"],"award-info":[{"award-number":["2021YFA1200404"]}]},{"name":"National Natural Science Foundation of China Projects","award":["T2241002"],"award-info":[{"award-number":["T2241002"]}]},{"name":"National Natural Science Foundation of China Projects","award":["12204547"],"award-info":[{"award-number":["12204547"]}]},{"name":"National Natural Science Foundation of China Projects","award":["11904231"],"award-info":[{"award-number":["11904231"]}]},{"name":"National Natural Science Foundation of China Projects","award":["19YF1434100"],"award-info":[{"award-number":["19YF1434100"]}]},{"name":"Innovation Laboratory of Terahertz Biophysics","award":["2021YFA1200404"],"award-info":[{"award-number":["2021YFA1200404"]}]},{"name":"Innovation Laboratory of Terahertz Biophysics","award":["T2241002"],"award-info":[{"award-number":["T2241002"]}]},{"name":"Innovation Laboratory of Terahertz Biophysics","award":["12204547"],"award-info":[{"award-number":["12204547"]}]},{"name":"Innovation Laboratory of Terahertz Biophysics","award":["11904231"],"award-info":[{"award-number":["11904231"]}]},{"name":"Innovation Laboratory of Terahertz Biophysics","award":["19YF1434100"],"award-info":[{"award-number":["19YF1434100"]}]},{"name":"Shanghai Sailing Program","award":["2021YFA1200404"],"award-info":[{"award-number":["2021YFA1200404"]}]},{"name":"Shanghai Sailing Program","award":["T2241002"],"award-info":[{"award-number":["T2241002"]}]},{"name":"Shanghai Sailing Program","award":["12204547"],"award-info":[{"award-number":["12204547"]}]},{"name":"Shanghai Sailing Program","award":["11904231"],"award-info":[{"award-number":["11904231"]}]},{"name":"Shanghai Sailing Program","award":["19YF1434100"],"award-info":[{"award-number":["19YF1434100"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Symmetry"],"abstract":"<jats:p>With the help of molecular dynamics simulations and an artificial sodium channel model, we corroborated that the application of terahertz stimulation at a characteristic frequency can largely increase the permeability of the sodium channel by a factor of 33.6. The mechanism is that the carboxylate groups in the filter region transfer the absorbed terahertz photon energy to the sodium ions, which increase the ions\u2019 kinetic energy; this results in breaking the hydrated hydrogen bonding network between the hydrosphere layer of the ions and the carboxylate groups, thereby increasing their diffusion and reducing the energy barrier for them to cross the channel. This study on terahertz-driven particle transmembrane transport offers new ideas for targeted therapy of channel diseases and for developing novel integrated engineering systems in energy conversion and storage.<\/jats:p>","DOI":"10.3390\/sym15020427","type":"journal-article","created":{"date-parts":[[2023,2,6]],"date-time":"2023-02-06T04:08:07Z","timestamp":1675656487000},"page":"427","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":24,"title":["Terahertz Waves Enhance the Permeability of Sodium Channels"],"prefix":"10.3390","volume":"15","author":[{"given":"Yan","family":"Zhao","sequence":"first","affiliation":[{"name":"Key Laboratory of Optical Technology and Instrument for Medicine, Ministry of Education, College of Optical-Electrical and Computer Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lei","family":"Wang","sequence":"additional","affiliation":[{"name":"Key Laboratory of Optical Technology and Instrument for Medicine, Ministry of Education, College of Optical-Electrical and Computer Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yangmei","family":"Li","sequence":"additional","affiliation":[{"name":"Innovation Laboratory of Terahertz Biophysics, National Innovation Institute of Defense Technology, Beijing 100071, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5100-2397","authenticated-orcid":false,"given":"Zhi","family":"Zhu","sequence":"additional","affiliation":[{"name":"Key Laboratory of Optical Technology and Instrument for Medicine, Ministry of Education, College of Optical-Electrical and Computer Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2023,2,6]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1016\/j.gene.2015.12.061","article-title":"Epithelial sodium channel (ENaC) family: Phylogeny, structure\u2013function, tissue distribution, and associated inherited diseases","volume":"579","author":"Hanukoglu","year":"2016","journal-title":"Gene"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1111\/j.1755-5922.2010.00210.x","article-title":"Sodium channel (dys) function and cardiac arrhythmias","volume":"28","author":"Remme","year":"2010","journal-title":"Cardiovasc. Ther."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"5528","DOI":"10.1038\/srep05528","article-title":"Realizing synchronous energy harvesting and ion separation with graphene oxide membranes","volume":"4","author":"Sun","year":"2014","journal-title":"Sci. Rep."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"1427","DOI":"10.1021\/jp709845u","article-title":"Designing carbon nanotube membranes for efficient water desalination","volume":"112","author":"Corry","year":"2008","journal-title":"J. Phys. Chem. B"},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"10148","DOI":"10.1021\/nn4043628","article-title":"Bioinspired graphene nanopores with voltage-tunable ion selectivity for Na+ and K+","volume":"7","author":"He","year":"2013","journal-title":"ACS Nano"},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1186\/s40635-016-0083-4","article-title":"Critical illness polyneuropathy in ICU patients is related to reduced motor nerve excitability caused by reduced sodium permeability","volume":"4","author":"Koch","year":"2016","journal-title":"Intensive Care Med. Exp."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"1071","DOI":"10.1016\/j.ekir.2020.04.010","article-title":"Sera from patients with minimal change disease increase endothelial permeability to sodium","volume":"5","author":"Daviet","year":"2020","journal-title":"Kidney Int. Rep."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"122","DOI":"10.1016\/j.cell.2019.11.041","article-title":"Structure of the cardiac sodium channel","volume":"180","author":"Jiang","year":"2020","journal-title":"Cell"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"275","DOI":"10.1146\/annurev.me.36.020185.001423","article-title":"The electrophysiology of acute myocardial ischemia","volume":"36","author":"Fozzard","year":"1985","journal-title":"Annu. Rev. Med."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"8245","DOI":"10.1073\/pnas.0602813103","article-title":"A single sodium channel mutation produces hyper-or hypoexcitability in different types of neurons","volume":"103","author":"Rush","year":"2006","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1038\/nature11077","article-title":"Crystal structure of a voltage-gated sodium channel in two potentially inactivated states","volume":"486","author":"Payandeh","year":"2012","journal-title":"Nature"},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"820","DOI":"10.15252\/embj.201593285","article-title":"Molecular basis of ion permeability in a voltage-gated sodium channel","volume":"35","author":"Naylor","year":"2016","journal-title":"EMBO J."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"810","DOI":"10.1016\/j.tibtech.2016.04.008","article-title":"Biomedical applications of terahertz spectroscopy and imaging","volume":"34","author":"Yang","year":"2016","journal-title":"Trends Biotechnol."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"1015","DOI":"10.1063\/1.1554479","article-title":"3.4-THz quantum cascade laser based on longitudinal-optical-phonon scattering for depopulation","volume":"82","author":"Williams","year":"2003","journal-title":"Appl. Phys. Lett."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1016\/j.flm.2019.05.001","article-title":"Application of terahertz spectroscopy in biomolecule detection","volume":"2","author":"Wei","year":"2018","journal-title":"Front. Lab. Med."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"590","DOI":"10.1007\/s12274-020-3016-1","article-title":"A new viewpoint and model of neural signal generation and transmission: Signal transmission on unmyelinated neurons","volume":"14","author":"Xiang","year":"2021","journal-title":"Nano Res."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"1807862","DOI":"10.1002\/adfm.201807862","article-title":"Myelin sheath as a dielectric waveguide for signal propagation in the mid-infrared to terahertz spectral range","volume":"29","author":"Liu","year":"2019","journal-title":"Adv. Funct."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"986067","DOI":"10.34133\/2022\/9860679","article-title":"Inhibition of cancer cell migration and glycolysis by terahertz wave modulation via altered chromatin accessibility","volume":"2022","author":"Sun","year":"2022","journal-title":"Research"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1007\/s12274-020-2937-z","article-title":"Demonstration of biophoton-driven DNA replication via gold nanoparticle-distance modulated yield oscillation","volume":"14","author":"Li","year":"2021","journal-title":"Nano Res."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"0010","DOI":"10.34133\/research.0010","article-title":"Neuromodulation of Chemical Synaptic Transmission Driven by THz Photons","volume":"2022","author":"Tan","year":"2022","journal-title":"Research"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"114202","DOI":"10.1103\/PhysRevFluids.7.114202","article-title":"Ultrafast active water pump driven by terahertz electric fields","volume":"7","author":"Zhang","year":"2022","journal-title":"Phys. Rev. Fluid"},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"13594","DOI":"10.1021\/acs.langmuir.2c02392","article-title":"Resonance-Induced Reduction of Interfacial Tension of Water-Methane and Improvement of Methane Solubility in Water","volume":"38","author":"Pan","year":"2022","journal-title":"Langmuir"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1016\/j.molliq.2016.12.064","article-title":"The resonant heating of heavy water solutions under the terahertz pulse irradiation","volume":"229","author":"Yang","year":"2017","journal-title":"J. Mol. Liq."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"7002","DOI":"10.1021\/acs.jpclett.0c01850","article-title":"Terahertz wave accelerates DNA unwinding: A molecular dynamics simulation study","volume":"11","author":"Wu","year":"2020","journal-title":"J. Phys. Chem. Lett."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"090902","DOI":"10.1117\/1.JBO.26.9.090902","article-title":"Cellular effects of terahertz waves","volume":"26","author":"Cherkasova","year":"2021","journal-title":"J. Biomed. Opt."},{"key":"ref_26","first-page":"26","article-title":"Advances in the biological effects of terahertz wave radiation","volume":"1","author":"Zhao","year":"2014","journal-title":"Mil. Med. Res."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"256","DOI":"10.1021\/acs.jpclett.9b03228","article-title":"Transition to a superpermeation phase of confined water induced by a terahertz electromagnetic wave","volume":"11","author":"Zhu","year":"2019","journal-title":"J. Phys. Chem. Lett."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"781","DOI":"10.1021\/acsphotonics.0c01336","article-title":"Terahertz-Light Induced Structural Transition and Superpermeation of Confined Monolayer Water","volume":"8","author":"Zhu","year":"2020","journal-title":"ACS Photonics"},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"121026","DOI":"10.1016\/j.memsci.2022.121026","article-title":"Light resonantly enhances the permeability of functionalized membranes","volume":"662","author":"Sun","year":"2022","journal-title":"J. Membr. Sci."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"e2015685118","DOI":"10.1073\/pnas.2015685118","article-title":"Nonthermal and reversible control of neuronal signaling and behavior by midinfrared stimulation","volume":"118","author":"Liu","year":"2021","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"024104","DOI":"10.1103\/PhysRevE.105.024104","article-title":"Permeability enhancement of the KcsA channel under radiation of a terahertz wave","volume":"105","author":"Hu","year":"2022","journal-title":"Phys. Rev. E"},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"4311","DOI":"10.1021\/jacs.0c09401","article-title":"Terahertz wave enhances permeability of the voltage-gated calcium channel","volume":"143","author":"Li","year":"2021","journal-title":"J. Am. Chem. Soc."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"103561","DOI":"10.1016\/j.isci.2021.103561","article-title":"Theoretical investigation on the effect of terahertz wave on Ca2+ transport in the calcium channel","volume":"25","author":"Guo","year":"2022","journal-title":"Iscience"},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"8419","DOI":"10.1021\/acsnano.2c02952","article-title":"Physicochemical Insights on Terahertz Wave Diminished Side Effects of Drugs from Slow Dissociation","volume":"16","author":"Li","year":"2022","journal-title":"ACS Nano"},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"1886","DOI":"10.1039\/C5NR07281F","article-title":"Fast water channeling across carbon nanotubes in far infrared terahertz electric fields","volume":"8","author":"Zhang","year":"2016","journal-title":"Nanoscale"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"254501","DOI":"10.1103\/PhysRevLett.110.254501","article-title":"Water transport through carbon nanotubes with the radial breathing mode","volume":"110","author":"Zhang","year":"2013","journal-title":"Phys. Rev. Lett."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"353","DOI":"10.1038\/nature10238","article-title":"The crystal structure of a voltage-gated sodium channel","volume":"475","author":"Payandeh","year":"2011","journal-title":"Nature"},{"key":"ref_38","doi-asserted-by":"crossref","unstructured":"Kariev, A.M., and Green, M.E. (2021). Quantum calculations on ion channels: Why are they more useful than classical calculations, and for which processes are they essential?. Symmetry, 13.","DOI":"10.3390\/sym13040655"},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","article-title":"GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers","volume":"1","author":"Abraham","year":"2015","journal-title":"SoftwareX"},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"578","DOI":"10.1016\/0009-2614(74)80109-0","article-title":"Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid","volume":"28","author":"Torrie","year":"1974","journal-title":"Chem. Phys. Lett."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/0021-9991(77)90121-8","article-title":"Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling","volume":"23","author":"Torrie","year":"1977","journal-title":"J. Comput. Phys."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1016\/j.bpc.2006.04.015","article-title":"Molecular dynamics-potential of mean force calculations as a tool for understanding ion permeation and selectivity in narrow channels","volume":"124","author":"Allen","year":"2006","journal-title":"Biophys. Chem."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"120","DOI":"10.1088\/0031-8949\/70\/2-3\/008","article-title":"Einstein-Smoluchowski diffusion equation: A discussion","volume":"70","author":"Islam","year":"2004","journal-title":"Phys. Scr."},{"key":"ref_44","doi-asserted-by":"crossref","unstructured":"Dill, K., and Bromberg, S. (2010). Molecular Driving Forces: Statistical Thermodynamics in Biology, Chemistry, Physics, and Nanoscience, Garland Science.","DOI":"10.4324\/9780203809075"},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"350","DOI":"10.1016\/S0022-3093(05)80795-1","article-title":"Vibrational spectra in fluoride crystals and glasses at normal and high pressures by computer simulation","volume":"140","author":"Boulard","year":"1992","journal-title":"J. Non. Cryst. Solids"},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"11792","DOI":"10.1063\/1.1624057","article-title":"The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluids","volume":"119","author":"Lin","year":"2003","journal-title":"J. Chem. Phys."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"1059","DOI":"10.1016\/j.jnoncrysol.2011.12.114","article-title":"Effect of strontium substitution on the structure, ionic diffusion and dynamic properties of 45S5 bioactive glasses","volume":"358","author":"Du","year":"2012","journal-title":"J. Non. Cryst. Solids"},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"3624","DOI":"10.1016\/j.neuroimage.2011.11.033","article-title":"The application of Fourier transform infrared microspectroscopy for the study of diseased central nervous system tissue","volume":"59","author":"Caine","year":"2012","journal-title":"Neuroimage"},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"120286","DOI":"10.1016\/j.molliq.2022.120286","article-title":"Anisotropic energy absorption from mid-infrared laser pulses in constrained water systems","volume":"366","author":"Yang","year":"2022","journal-title":"J. Mol. Liq."},{"key":"ref_50","doi-asserted-by":"crossref","unstructured":"Wojtkowiak, K., Jezierska, A., and Panek, J.J. (2022). Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches. Symmetry, 14.","DOI":"10.3390\/sym14040691"},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"2346","DOI":"10.1021\/acs.jpclett.8b00749","article-title":"Reversible hydrophobicity-hydrophilicity transition modulated by surface curvature","volume":"9","author":"Zhu","year":"2018","journal-title":"J. Phys. Chem. Lett."},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1007\/s41365-020-00767-w","article-title":"Molecular rotation-caused autocorrelation behaviors of thermal noise in water","volume":"31","author":"Guo","year":"2020","journal-title":"Nucl. Sci. Tech."},{"key":"ref_53","first-page":"04B614","article-title":"Potential of mean force calculations of ligand binding to ion channels from Jarzynski\u2019s equality and umbrella sampling","volume":"128","author":"Chen","year":"2008","journal-title":"J. Chem. Phys."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"1272","DOI":"10.1016\/j.bbrc.2012.12.055","article-title":"Distinct interactions of Na+ and Ca2+ ions with the selectivity filter of the bacterial sodium channel NaVAb","volume":"430","author":"Ke","year":"2013","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"1904351","DOI":"10.1002\/adma.201904351","article-title":"Engineering Smart Nanofluidic Systems for Artificial Ion Channels and Ion Pumps: From Single-Pore to Multichannel Membranes","volume":"32","author":"Zhang","year":"2020","journal-title":"Adv. Mater."},{"key":"ref_56","doi-asserted-by":"crossref","unstructured":"Wang, H., Yu, H., Kim, Y., and Chen, T. (2022). Asymmetry in Muscle Strength, Dynamic Balance, and Range of Motion in Adult Symptomatic Hip Dysplasia. Symmetry, 14.","DOI":"10.3390\/sym14040748"},{"key":"ref_57","doi-asserted-by":"crossref","unstructured":"Esgalhado, F., Batista, A., Vassilenko, V., Russo, S., and Ortigueira, M. (2022). Peak Detection and HRV Feature Evaluation on ECG and PPG Signals. Symmetry, 14.","DOI":"10.3390\/sym14061139"},{"key":"ref_58","doi-asserted-by":"crossref","unstructured":"Xie, C., Jauhari, S., and Mora, A. (2021). Popularity and performance of bioinformatics software: The case of gene set analysis. BMC Bioinform., 22.","DOI":"10.1186\/s12859-021-04124-5"},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"2572","DOI":"10.1007\/s40843-021-1644-6","article-title":"The macroscopic quantum state of ion channels: A carrier of neural information","volume":"64","author":"Song","year":"2021","journal-title":"Sci. China Mater."},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1038\/35102535","article-title":"Water conduction through the hydrophobic channel of a carbon nanotube","volume":"414","author":"Hummer","year":"2001","journal-title":"Nature"},{"key":"ref_61","doi-asserted-by":"crossref","first-page":"8345","DOI":"10.1063\/1.465608","article-title":"The effect of long-range electrostatic interactions in simulations of macromolecular crystals: A comparison of the Ewald and truncated list methods","volume":"99","author":"York","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref_62","doi-asserted-by":"crossref","first-page":"2401","DOI":"10.1103\/PhysRevLett.78.2401","article-title":"Boson peak and high frequency modes in amorphous silica","volume":"78","author":"Guillot","year":"1997","journal-title":"Phys. Rev. Lett."},{"key":"ref_63","doi-asserted-by":"crossref","first-page":"11056","DOI":"10.1021\/jp046158d","article-title":"Temperature dependence of water vibrational spectrum: A molecular dynamics simulation study","volume":"108","author":"Praprotnik","year":"2004","journal-title":"J. Phys. Chem. A"},{"key":"ref_64","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1002\/jcc.21989","article-title":"Convergence and error estimation in free energy calculations using the weighted histogram analysis method","volume":"33","author":"Zhu","year":"2012","journal-title":"J. Comput. Chem."},{"key":"ref_65","doi-asserted-by":"crossref","first-page":"1011","DOI":"10.1002\/jcc.540130812","article-title":"The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method","volume":"13","author":"Kumar","year":"1992","journal-title":"J. Comput. Chem."}],"container-title":["Symmetry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2073-8994\/15\/2\/427\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T18:25:21Z","timestamp":1760120721000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2073-8994\/15\/2\/427"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,2,6]]},"references-count":65,"journal-issue":{"issue":"2","published-online":{"date-parts":[[2023,2]]}},"alternative-id":["sym15020427"],"URL":"https:\/\/doi.org\/10.3390\/sym15020427","relation":{},"ISSN":["2073-8994"],"issn-type":[{"value":"2073-8994","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,2,6]]}}}