{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,5]],"date-time":"2026-10-05T12:02:23Z","timestamp":1791201743716,"version":"4.2.0"},"reference-count":57,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T00:00:00Z","timestamp":1789948800000},"content-version":"vor","delay-in-days":20,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["GM149881"],"award-info":[{"award-number":["GM149881"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["cell.com","elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Biophysical Journal"],"published-print":{"date-parts":[[2026,9]]},"DOI":"10.1016\/j.bpj.2026.09.028","type":"journal-article","created":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T17:17:26Z","timestamp":1790097446000},"update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"title":["Helium nanodroplet force field for advancing single-molecule serial electron diffraction imaging"],"prefix":"10.1016","author":[{"given":"Eduardo R.","family":"Cruz-Ch\u00fa","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Andrew","family":"Clifford","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marisol","family":"Trejo","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5315-9312","authenticated-orcid":false,"given":"Yingbin","family":"Ge","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wei","family":"Kong","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2350-8838","authenticated-orcid":false,"given":"Peter","family":"Schwander","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bpj.2026.09.028_bib1","doi-asserted-by":"crossref","first-page":"D609","DOI":"10.1093\/nar\/gkae1010","article-title":"UniProt: the Universal Protein Knowledgebase in 2025","volume":"53","year":"2025","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bpj.2026.09.028_bib2","doi-asserted-by":"crossref","DOI":"10.1016\/j.jmb.2023.167994","article-title":"RCSB Protein Data Bank: Efficient Searching and Simultaneous Access to One Million Computed Structure Models Alongside the PDB Structures Enabled by Architectural Advances","volume":"435","author":"Bittrich","year":"2023","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.bpj.2026.09.028_bib3","unstructured":"PDB Statistics: PDB Data Distribution by Experimental Method and Molecular Type. https:\/\/www.rcsb.org\/stats\/summary."},{"key":"10.1016\/j.bpj.2026.09.028_bib4","series-title":"Methods in Enzymology","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1016\/S0076-6879(04)83004-0","article-title":"Protein Structure Prediction Using Rosetta","author":"Rohl","year":"2004"},{"key":"10.1016\/j.bpj.2026.09.028_bib5","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1038\/s41586-021-03819-2","article-title":"Highly accurate protein structure prediction with AlphaFold","volume":"596","author":"Jumper","year":"2021","journal-title":"Nature"},{"key":"10.1016\/j.bpj.2026.09.028_bib6","article-title":"Apparatus and Method for Determining Molecular Structure","author":"Beckman","year":"2016","journal-title":"U.S. Patent 9,279,778 B2"},{"key":"10.1016\/j.bpj.2026.09.028_bib7","series-title":"Electron Diffraction of Molecules and Clusters in Superfluid Helium Droplets - Molecules in Superfluid Helium Nanodroplets: Spectroscopy, Structure, and Dynamics","first-page":"343","author":"Zhang","year":"2022"},{"key":"10.1016\/j.bpj.2026.09.028_bib8","doi-asserted-by":"crossref","first-page":"1312","DOI":"10.1107\/S0907444900008970","article-title":"The oversampling phasing method","volume":"56","author":"Miao","year":"2000","journal-title":"Acta Crystallogr. D: Struct. Biol."},{"key":"10.1016\/j.bpj.2026.09.028_bib9","doi-asserted-by":"crossref","first-page":"2622","DOI":"10.1002\/anie.200300611","article-title":"Superfluid Helium Droplets: A Uniquely Cold Nanomatrix for Molecules and Molecular Complexes","volume":"43","author":"Toennies","year":"2004","journal-title":"Angew. Chem. Int. Ed."},{"key":"10.1016\/j.bpj.2026.09.028_bib10","doi-asserted-by":"crossref","first-page":"10090","DOI":"10.1063\/1.1418746","article-title":"Helium nanodroplet isolation rovibrational spectroscopy: Methods and recent results","volume":"115","author":"Callegari","year":"2001","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib11","article-title":"Infrared spectroscopy in superfluid helium droplets","volume":"4","author":"Verma","year":"2019","journal-title":"Adv. Phys. X"},{"key":"10.1016\/j.bpj.2026.09.028_bib12","doi-asserted-by":"crossref","first-page":"2065","DOI":"10.1126\/science.279.5359.2065","article-title":"The Ultimate Spectroscopic Matrix?","volume":"279","author":"Lehmann","year":"1998","journal-title":"Science"},{"key":"10.1016\/j.bpj.2026.09.028_bib13","doi-asserted-by":"crossref","first-page":"10119","DOI":"10.1063\/1.1415433","article-title":"Electronic spectroscopy in He droplets","volume":"115","author":"Stienkemeier","year":"2001","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib14","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1007\/s004600050166","article-title":"Comparison between positive and negative charging of helium droplets","volume":"40","author":"F\u00e1rn\u00edk","year":"1997","journal-title":"Z. Physik D Atoms Mol. Clust."},{"key":"10.1016\/j.bpj.2026.09.028_bib15","doi-asserted-by":"crossref","DOI":"10.1063\/1.2202313","article-title":"Photoionization of helium nanodroplets doped with rare gas atoms","volume":"124","author":"Kim","year":"2006","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib16","doi-asserted-by":"crossref","first-page":"465","DOI":"10.1080\/0144235X.2020.1794585","article-title":"Solvation of ions in helium","volume":"39","author":"Gonz\u00e1lez-Lezana","year":"2020","journal-title":"Int. Rev. Phys. Chem."},{"key":"10.1016\/j.bpj.2026.09.028_bib17","doi-asserted-by":"crossref","first-page":"1339","DOI":"10.1103\/PhysRev.116.1339","article-title":"Ions in Liquid Helium","volume":"116","author":"Atkins","year":"1959","journal-title":"Phys. Rev."},{"key":"10.1016\/j.bpj.2026.09.028_bib18","doi-asserted-by":"crossref","first-page":"1429","DOI":"10.1063\/1.478018","article-title":"High resolution vibronic spectra of the amino acids tryptophan and tyrosine in 0.38 K cold helium droplets","volume":"110","author":"Lindinger","year":"1999","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib19","doi-asserted-by":"crossref","first-page":"13370","DOI":"10.1039\/c2cp42071f","article-title":"Photoexcitation of mass\/charge selected hemin+, caught in helium nanodroplets","volume":"14","author":"Filsinger","year":"2012","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib20","doi-asserted-by":"crossref","first-page":"6671","DOI":"10.1021\/acs.jpca.7b05718","article-title":"Doping of Green Fluorescent Protein into Superfluid Helium Droplets: Size and Velocity of Doped Droplets","volume":"121","author":"Alghamdi","year":"2017","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.bpj.2026.09.028_bib21","doi-asserted-by":"crossref","DOI":"10.1103\/PhysRevLett.105.133402","article-title":"Catching Proteins in Liquid Helium Droplets","volume":"105","author":"Bierau","year":"2010","journal-title":"Phys. Rev. Lett."},{"key":"10.1016\/j.bpj.2026.09.028_bib22","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1016\/0022-2836(85)90346-8","article-title":"An evaluation of the combined use of nuclear magnetic resonance and distance geometry for the determination of protein conformations in solution","volume":"182","author":"Havel","year":"1985","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.bpj.2026.09.028_bib23","doi-asserted-by":"crossref","first-page":"1709","DOI":"10.1038\/s41467-022-29332-2","article-title":"Effects of cryo-EM cooling on structural ensembles","volume":"13","author":"Bock","year":"2022","journal-title":"Nat. Commun."},{"key":"10.1016\/j.bpj.2026.09.028_bib24","doi-asserted-by":"crossref","first-page":"752","DOI":"10.1038\/35021099","article-title":"Potential for biomolecular imaging with femtosecond X-ray pulses","volume":"406","author":"Neutze","year":"2000","journal-title":"Nature"},{"key":"10.1016\/j.bpj.2026.09.028_bib25","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1016\/S0009-2614(03)00368-3","article-title":"Photodissociation of Cl2 in helium clusters: an application of hybrid method of quantum wavepacket dynamics and path integral centroid molecular dynamics","volume":"372","author":"Takayanagi","year":"2003","journal-title":"Chem. Phys. Lett."},{"key":"10.1016\/j.bpj.2026.09.028_bib26","doi-asserted-by":"crossref","DOI":"10.1080\/00268976.2021.1977862","article-title":"Photofragmentation of I2 molecules inside helium clusters: model calculations using a quantum effective potential","volume":"119","author":"Panzou","year":"2021","journal-title":"Mol. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib27","doi-asserted-by":"crossref","DOI":"10.1063\/5.0091942","article-title":"Clustering, collision, and relaxation dynamics in pure and doped helium nanoclusters: Density- vs particle-based approaches","volume":"157","author":"Garc\u00eda-Alfonso","year":"2022","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib28","doi-asserted-by":"crossref","DOI":"10.1063\/5.0220027","article-title":"Collision of rare-gas atoms on helium nanodroplets: Theoretical evidence for an efficient coagulation of heavy rare-gas atoms","volume":"161","author":"Fixot","year":"2024","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib29","doi-asserted-by":"crossref","first-page":"621","DOI":"10.1080\/0144235X.2017.1351672","article-title":"Density functional theory of doped superfluid liquid helium and nanodroplets","volume":"36","author":"Ancilotto","year":"2017","journal-title":"Int. Rev. Phys. Chem."},{"key":"10.1016\/j.bpj.2026.09.028_bib30","doi-asserted-by":"crossref","first-page":"17423","DOI":"10.1039\/C9CP02789K","article-title":"Dynamics of impurity clustering in superfluid 4He nanodroplets","volume":"21","author":"Coppens","year":"2019","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib31","doi-asserted-by":"crossref","first-page":"14808","DOI":"10.1021\/jp4084713","article-title":"Data driven, predictive molecular dynamics for nanoscale flow simulations under uncertainty","volume":"117","author":"Angelikopoulos","year":"2013","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.bpj.2026.09.028_bib32","doi-asserted-by":"crossref","first-page":"3025","DOI":"10.1063\/1.1589749","article-title":"Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm","volume":"119","author":"Lamoureux","year":"2003","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib33","doi-asserted-by":"crossref","first-page":"1910","DOI":"10.1021\/nl304000k","article-title":"Barriers to superfast water transport in carbon nanotube membranes","volume":"13","author":"Walther","year":"2013","journal-title":"Nano Lett."},{"key":"10.1016\/j.bpj.2026.09.028_bib34","doi-asserted-by":"crossref","first-page":"260","DOI":"10.1021\/acs.jcim.5b00612","article-title":"Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator","volume":"56","author":"Dequidt","year":"2016","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.bpj.2026.09.028_bib35","doi-asserted-by":"crossref","DOI":"10.1016\/j.cpc.2021.108171","article-title":"LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales","volume":"271","author":"Thompson","year":"2022","journal-title":"Comput. Phys. Commun."},{"key":"10.1016\/j.bpj.2026.09.028_bib36","doi-asserted-by":"crossref","first-page":"898","DOI":"10.1016\/j.cpc.2010.12.021","article-title":"Implementing molecular dynamics on hybrid high performance computers \u2013 short range forces","volume":"182","author":"Brown","year":"2011","journal-title":"Comput. Phys. Commun."},{"key":"10.1016\/j.bpj.2026.09.028_bib37","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1016\/j.cpc.2011.10.012","article-title":"Implementing molecular dynamics on hybrid high performance computers \u2013 Particle\u2013particle particle-mesh","volume":"183","author":"Brown","year":"2012","journal-title":"Comput. Phys. Commun."},{"key":"10.1016\/j.bpj.2026.09.028_bib38","doi-asserted-by":"crossref","first-page":"7678","DOI":"10.1063\/1.477414","article-title":"How to mesh up Ewald sums. I. A theoretical and numerical comparison of various particle mesh routines","volume":"109","author":"Deserno","year":"1998","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib39","series-title":"Understanding Molecular Simulation - from Algorithms to Applications","author":"Frenkel","year":"2002"},{"key":"10.1016\/j.bpj.2026.09.028_bib40","doi-asserted-by":"crossref","first-page":"671","DOI":"10.1002\/jcc.21367","article-title":"CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields","volume":"31","author":"Vanommeslaeghe","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bpj.2026.09.028_bib41","doi-asserted-by":"crossref","first-page":"3257","DOI":"10.1021\/ct300400x","article-title":"Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone \u03d5, \u03c8 and Side-Chain \u03c71 and \u03c72 Dihedral Angles","volume":"8","author":"Best","year":"2012","journal-title":"J. Chem. Theory Comput."},{"key":"10.1016\/j.bpj.2026.09.028_bib42","doi-asserted-by":"crossref","first-page":"1200","DOI":"10.1080\/00268976.2018.1535143","article-title":"2018 Table of static dipole polarizabilities of the neutral elements in the periodic table","volume":"117","author":"Schwerdtfeger","year":"2019","journal-title":"Mol. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib43","doi-asserted-by":"crossref","first-page":"9644","DOI":"10.1021\/acs.jpclett.1c02712","article-title":"Electron Diffraction of Ionic Argon Nanoclusters Embedded in Superfluid Helium Droplets","volume":"12","author":"Zhang","year":"2021","journal-title":"J. Phys. Chem. Lett."},{"key":"10.1016\/j.bpj.2026.09.028_bib46","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1038\/s41586-020-2649-2","article-title":"Array Programming with NumPy","volume":"585","author":"Harris","year":"2020","journal-title":"Nature"},{"key":"10.1016\/j.bpj.2026.09.028_bib47","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1109\/MCSE.2007.55","article-title":"Matplotlib: A 2D Graphics Environment","volume":"9","author":"Hunter","year":"2007","journal-title":"Comput. Sci. Eng."},{"key":"10.1016\/j.bpj.2026.09.028_bib48","doi-asserted-by":"crossref","first-page":"2319","DOI":"10.1002\/jcc.21787","article-title":"MDAnalysis: A toolkit for the analysis of molecular dynamics simulations","volume":"32","author":"Michaud-Agrawal","year":"2011","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bpj.2026.09.028_bib49","doi-asserted-by":"crossref","first-page":"4463","DOI":"10.1021\/nn100399f","article-title":"Computational microscopy of the role of protonable surface residues in nanoprecipitation oscillations","volume":"4","author":"Cruz-Chu","year":"2010","journal-title":"ACS Nano"},{"key":"10.1016\/j.bpj.2026.09.028_bib50","series-title":"Advanced Computing in Electron Microscopy","author":"Kirkland","year":"2020"},{"key":"10.1016\/j.bpj.2026.09.028_bib51","doi-asserted-by":"crossref","first-page":"6349","DOI":"10.1039\/D2CP00048B","article-title":"Electron diffraction as a structure tool for charged and neutral nanoclusters formed in superfluid helium droplets","volume":"24","author":"Zhang","year":"2022","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib52","doi-asserted-by":"crossref","DOI":"10.1063\/5.0080365","article-title":"Resolving the interlayer distance of cationic pyrene clusters embedded in superfluid helium droplets using electron diffraction","volume":"156","author":"Lei","year":"2022","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib53","doi-asserted-by":"crossref","DOI":"10.1063\/5.0286151","article-title":"Ionization-driven collapse of xenon and argon foams in superfluid helium droplets","volume":"163","author":"Clifford","year":"2025","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib54","series-title":"Tables on the Thermophysical Properties of Liquids and Gases","author":"Vargaftik","year":"1975"},{"key":"10.1016\/j.bpj.2026.09.028_bib55","doi-asserted-by":"crossref","first-page":"356","DOI":"10.1103\/PhysRev.60.356","article-title":"Theory of the Superfluidity of Helium II","volume":"60","author":"Landau","year":"1941","journal-title":"Phys. Rev."},{"key":"10.1016\/j.bpj.2026.09.028_bib56","doi-asserted-by":"crossref","first-page":"2669","DOI":"10.1063\/1.470989","article-title":"Current and condensate distributions in rotational excited states of quantum liquid clusters","volume":"104","author":"Cheng","year":"1996","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bpj.2026.09.028_bib57","doi-asserted-by":"crossref","first-page":"3341","DOI":"10.1103\/PhysRevB.58.3341","article-title":"Density of superfluid helium droplets","volume":"58","author":"Harms","year":"1998","journal-title":"Phys. Rev. B"},{"key":"10.1016\/j.bpj.2026.09.028_bib58","doi-asserted-by":"crossref","first-page":"2283","DOI":"10.1021\/j100159a034","article-title":"Computer simulation of the dynamics of induced polarization fluctuations in water","volume":"95","author":"Sprik","year":"1991","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.bpj.2026.09.028_bib59","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1007\/978-1-59745-177-2_4","article-title":"Comparison of Protein Force Fields for Molecular Dynamics Simulations","volume":"433","author":"Guvench","year":"2008","journal-title":"Methods Mol. Biol."}],"container-title":["Biophysical Journal"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0006349526006582?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0006349526006582?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,10,5]],"date-time":"2026-10-05T11:33:43Z","timestamp":1791200023000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0006349526006582"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9]]},"references-count":57,"alternative-id":["S0006349526006582"],"URL":"https:\/\/doi.org\/10.1016\/j.bpj.2026.09.028","relation":{},"ISSN":["0006-3495"],"issn-type":[{"value":"0006-3495","type":"print"}],"subject":[],"published":{"date-parts":[[2026,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Helium nanodroplet force field for advancing single-molecule serial electron diffraction imaging","name":"articletitle","label":"Article Title"},{"value":"Biophysical Journal","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bpj.2026.09.028","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 The Author(s). Published by Elsevier Inc. on behalf of Biophysical Society.","name":"copyright","label":"Copyright"}]}}