{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,4]],"date-time":"2026-10-04T02:29:48Z","timestamp":1791080988996,"version":"4.1.0"},"reference-count":61,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2024,8,1]],"date-time":"2024-08-01T00:00:00Z","timestamp":1722470400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2024,8,1]],"date-time":"2024-08-01T00:00:00Z","timestamp":1722470400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2024,4,18]],"date-time":"2024-04-18T00:00:00Z","timestamp":1713398400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["-491111487"],"award-info":[{"award-number":["-491111487"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100009318","name":"Helmholtz Association","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100009318","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001656","name":"Helmholtz-Gemeinschaft","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001656","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Current Opinion in Structural Biology"],"published-print":{"date-parts":[[2024,8]]},"DOI":"10.1016\/j.sbi.2024.102817","type":"journal-article","created":{"date-parts":[[2024,5,24]],"date-time":"2024-05-24T08:18:47Z","timestamp":1716538727000},"page":"102817","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":5,"special_numbering":"C","title":["Impact of quantum and neuromorphic computing on biomolecular simulations: Current status and perspectives"],"prefix":"10.1016","volume":"87","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3168-5394","authenticated-orcid":false,"given":"Sandra","family":"Diaz-Pier","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Paolo","family":"Carloni","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.sbi.2024.102817_bib1","doi-asserted-by":"crossref","first-page":"309","DOI":"10.1038\/s41578-023-00540-6","article-title":"Simulations in the era of exascale computing","volume":"8","author":"Chang","year":"2023","journal-title":"Nat Rev Mater"},{"key":"10.1016\/j.sbi.2024.102817_sref2","doi-asserted-by":"crossref","DOI":"10.1088\/2634-4386\/ac889c","article-title":"A\u00a0review of non-cognitive applications for neuromorphic computing","volume":"2","author":"Aimone","year":"2022","journal-title":"Neuromorph Comput Eng"},{"key":"10.1016\/j.sbi.2024.102817_bib3","series-title":"International Conference on neuromorphic systems 2020","first-page":"1","article-title":"Solving a steady-state pde using spiking networks and neuromorphic hardware","author":"Smith","year":"2020"},{"key":"10.1016\/j.sbi.2024.102817_bib4","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1007\/s00422-007-0190-0","article-title":"Lapicque's 1907 paper: from frogs to integrate-and-fire","volume":"97","author":"Brunel","year":"2007","journal-title":"Biol Cybern"},{"key":"10.1016\/j.sbi.2024.102817_bib5","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1007\/s00422-007-0189-6","article-title":"Quantitative investigations of electrical nerve excitation treated as polarization","volume":"97","author":"Brunel","year":"2007","journal-title":"Biol Cybern"},{"key":"10.1016\/j.sbi.2024.102817_bib6","first-page":"620","article-title":"Recherches quantitatives sur l\u2019excitation electrique des nerfs","volume":"9","author":"Lapicque","year":"1907","journal-title":"J\u00a0Physiol Paris"},{"key":"10.1016\/j.sbi.2024.102817_bib7","first-page":"1","volume":"vol. 3","author":"Orhan","year":"2012"},{"key":"10.1016\/j.sbi.2024.102817_bib8","doi-asserted-by":"crossref","first-page":"717","DOI":"10.3389\/fnins.2018.00717","article-title":"Organizing sequential memory in a neuromorphic device using dynamic neural fields","volume":"12","author":"Kreiser","year":"2018","journal-title":"Front Neurosci"},{"key":"10.1016\/j.sbi.2024.102817_bib9","doi-asserted-by":"crossref","first-page":"723","DOI":"10.1162\/neco_a_01045","article-title":"Spiking neural classifier with lumped dendritic nonlinearity and binary synapses: a current mode vlsi implementation and analysis","volume":"30","author":"Bhaduri","year":"2018","journal-title":"Neural Comput"},{"key":"10.1016\/j.sbi.2024.102817_bib10","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/j.jneumeth.2012.01.019","article-title":"Vlsi circuits implementing computational models of neocortical circuits","volume":"210","author":"Wijekoon","year":"2012","journal-title":"J\u00a0Neurosci Methods"},{"key":"10.1016\/j.sbi.2024.102817_bib11","first-page":"1","article-title":"A\u00a064-core mixed-signal in-memory compute chip based on phase-change memory for deep neural network inference","author":"Le Gallo","year":"2023","journal-title":"Nat Electr"},{"key":"10.1016\/j.sbi.2024.102817_sref12","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1126\/science.adh1174","article-title":"Neural inference at the frontier of energy, space, and time","volume":"382","author":"Modha","year":"2023","journal-title":"Science"},{"key":"10.1016\/j.sbi.2024.102817_bib13","doi-asserted-by":"crossref","DOI":"10.3389\/fnins.2022.795876","article-title":"The brainscales-2 accelerated neuromorphic system with hybrid plasticity","volume":"16","author":"Pehle","year":"2022","journal-title":"Front Neurosci"},{"key":"10.1016\/j.sbi.2024.102817_bib14","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1109\/MC.2019.2903009","article-title":"Truenorth: accelerating from zero to 64 million neurons in 10 years","volume":"52","author":"DeBole","year":"2019","journal-title":"Computer"},{"key":"10.1016\/j.sbi.2024.102817_bib15","series-title":"Advances in neural information processing systems","first-page":"62","article-title":"Stochastic neurodynamics","author":"Cowan","year":"1991"},{"key":"10.1016\/j.sbi.2024.102817_bib16","first-page":"2259","article-title":"Master-equation approach to stochastic neurodynamics","volume":"48","author":"Ohira","year":"1993","journal-title":"Phys Rev"},{"key":"10.1016\/j.sbi.2024.102817_sref17","doi-asserted-by":"crossref","first-page":"575","DOI":"10.1038\/s41578-022-00434-z","article-title":"Dynamical memristors for higher-complexity neuromorphic computing","volume":"7","author":"Kumar","year":"2022","journal-title":"Nat Rev Mater"},{"key":"10.1016\/j.sbi.2024.102817_bib18","article-title":"Spinnaker 2: a 10 million core processor system for brain simulation and machine learning","author":"Mayr","year":"2019","journal-title":"arXiv preprint arXiv:1911.02385"},{"key":"10.1016\/j.sbi.2024.102817_bib19","doi-asserted-by":"crossref","first-page":"135606","DOI":"10.1109\/ACCESS.2019.2941772","article-title":"A\u00a0review of spiking neuromorphic hardware communication systems","volume":"7","author":"Young","year":"2019","journal-title":"IEEE Access"},{"key":"10.1016\/j.sbi.2024.102817_bib20","series-title":"Advancements in spiking neural network communication and synchronization techniques for event-driven neuromorphic systems","author":"Shahsavari","year":"2023"},{"key":"10.1016\/j.sbi.2024.102817_bib21","series-title":"Proceedings of the 2023 International Conference on neuromorphic systems","first-page":"1","article-title":"A\u00a0high-throughput low-latency interface board for spinnaker-in-the-loop real-time systems","author":"Romero Bermudez","year":"2023"},{"key":"10.1016\/j.sbi.2024.102817_bib22","series-title":"2023 IEEE 5th International Conference on Artificial Intelligence Circuits and Systems (AICAS)","first-page":"1","article-title":"Efficient algorithms for accelerating spiking neural networks on mac array of spinnaker 2","author":"Huang","year":"2023"},{"key":"10.1016\/j.sbi.2024.102817_sref23","doi-asserted-by":"crossref","DOI":"10.1088\/2634-4386\/ace991","article-title":"Focus on algorithms for neuromorphic computing","volume":"3","author":"Legenstein","year":"2023","journal-title":"Neuromorph Comput Eng"},{"key":"10.1016\/j.sbi.2024.102817_bib24","article-title":"Synaptic devices based neuromorphic computing applications in artificial intelligence","volume":"18","author":"Sun","year":"2021","journal-title":"Mater Today Phys"},{"key":"10.1016\/j.sbi.2024.102817_bib25","article-title":"Memristors\u2014from in-memory computing, deep learning acceleration, and spiking neural networks to the future of neuromorphic and bio-inspired computing","volume":"2","author":"Mehonic","year":"2020","journal-title":"Adv Intellig Sys"},{"key":"10.1016\/j.sbi.2024.102817_bib26","series-title":"Proceedings of the 7th Annual Neuro-inspired computational elements Workshop","first-page":"1","article-title":"Low-power deep learning inference using the spinnaker neuromorphic platform","author":"Vineyard","year":"2019"},{"key":"10.1016\/j.sbi.2024.102817_bib27","doi-asserted-by":"crossref","first-page":"102","DOI":"10.1038\/s41928-021-00705-7","article-title":"Neuromorphic scaling advantages for energy-efficient random walk computations","volume":"5","author":"Smith","year":"2022","journal-title":"Nat Electr"},{"key":"10.1016\/j.sbi.2024.102817_bib28","series-title":"2015 49th Annual Conference on information Sciences and systems (CISS)","first-page":"1","article-title":"Markov chain Monte Carlo inference on graphical models using event-based processing on the spinnaker neuromorphic architecture","author":"Mendat","year":"2015"},{"key":"10.1016\/j.sbi.2024.102817_bib29","doi-asserted-by":"crossref","DOI":"10.3389\/fnins.2023.1141701","article-title":"High-accuracy deep ann-to-snn conversion using quantization-aware training framework and calcium-gated bipolar leaky integrate and fire neuron","volume":"17","author":"Gao","year":"2023","journal-title":"Front Neurosci"},{"key":"10.1016\/j.sbi.2024.102817_bib30","doi-asserted-by":"crossref","DOI":"10.3389\/fnins.2021.651141","article-title":"Comparison of artificial and spiking neural networks on digital hardware","volume":"15","author":"Davidson","year":"2021","journal-title":"Front Neurosci"},{"key":"10.1016\/j.sbi.2024.102817_bib31","doi-asserted-by":"crossref","DOI":"10.1002\/wcms.1581","article-title":"Application advances of deep learning methods for de novo drug design and molecular dynamics simulation","volume":"12","author":"Bai","year":"2022","journal-title":"Wiley Interdiscip Rev Comput Mol Sci"},{"key":"10.1016\/j.sbi.2024.102817_bib32","doi-asserted-by":"crossref","first-page":"3625","DOI":"10.1038\/s41467-020-17236-y","article-title":"A\u00a0solution to the learning dilemma for recurrent networks of spiking neurons","volume":"11","author":"Bellec","year":"2020","journal-title":"Nat Commun"},{"key":"10.1016\/j.sbi.2024.102817_bib33","doi-asserted-by":"crossref","first-page":"351","DOI":"10.1177\/10943420231178537","article-title":"Abisko: deep codesign of an architecture for spiking neural networks using novel neuromorphic materials","volume":"37","author":"Vetter","year":"2023","journal-title":"Int J High Perform Comput Appl"},{"key":"10.1016\/j.sbi.2024.102817_bib34","article-title":"Language modeling on a spinnaker 2 neuromorphic chip","author":"Nazeer","year":"2023","journal-title":"arXiv preprint arXiv:2312.09084"},{"key":"10.1016\/j.sbi.2024.102817_bib35","doi-asserted-by":"crossref","first-page":"2265","DOI":"10.1109\/TCAD.2020.3038151","article-title":"Ranc: reconfigurable architecture for neuromorphic computing","volume":"40","author":"Mack","year":"2020","journal-title":"IEEE Trans Comput Aided Des Integrated Circ Syst"},{"key":"10.1016\/j.sbi.2024.102817_bib36","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1145\/3498331","article-title":"Quantum linear system solver based on time-optimal adiabatic quantum computing and quantum approximate optimization algorithm","volume":"3","author":"An","year":"2022","journal-title":"ACM Trans Quant Comp"},{"key":"10.1016\/j.sbi.2024.102817_bib37","series-title":"Proceedings of the IEEE\/CVF Conference on Computer Vision and Pattern Recognition","first-page":"8811","article-title":"Adiabatic quantum computing for multi object tracking","author":"Zaech","year":"2022"},{"key":"10.1016\/j.sbi.2024.102817_bib38","doi-asserted-by":"crossref","DOI":"10.1103\/PhysRevA.99.062306","article-title":"Robust quantum control for adiabatic quantum computation","volume":"99","author":"Quiroz","year":"2019","journal-title":"Phys Rev"},{"key":"10.1016\/j.sbi.2024.102817_bib39","doi-asserted-by":"crossref","DOI":"10.1038\/s41598-019-48892-w","article-title":"Training optimization for gate-model quantum neural networks","volume":"9","author":"Gyongyosi","year":"2019","journal-title":"Sci Rep"},{"key":"10.1016\/j.sbi.2024.102817_bib40","doi-asserted-by":"crossref","DOI":"10.1002\/aic.17651","article-title":"Perspectives of quantum computing for chemical engineering","volume":"68","author":"Bernal","year":"2022","journal-title":"AIChE J"},{"key":"10.1016\/j.sbi.2024.102817_bib41","doi-asserted-by":"crossref","DOI":"10.1002\/cbic.202300120","article-title":"Quantum computing for molecular biology","volume":"24","author":"Baiardi","year":"2023","journal-title":"Chembiochem"},{"key":"10.1016\/j.sbi.2024.102817_sref42","doi-asserted-by":"crossref","first-page":"28","DOI":"10.1007\/s42484-023-00119-y","article-title":"Quantum metropolis solver: a quantum walks approach to optimization problems","volume":"5","author":"Campos","year":"2023","journal-title":"Quant Mach Intellig"},{"key":"10.1016\/j.sbi.2024.102817_bib43","doi-asserted-by":"crossref","DOI":"10.1103\/PRXQuantum.2.040361","article-title":"Accelerated quantum Monte Carlo with mitigated error on noisy quantum computer","volume":"2","author":"Yang","year":"2021","journal-title":"PRX Quantum"},{"key":"10.1016\/j.sbi.2024.102817_sref44","article-title":"Optimizing jastrow factors for the transcorrelated method","volume":"158","author":"Haupt","year":"2023","journal-title":"J\u00a0Chem Phys"},{"key":"10.1016\/j.sbi.2024.102817_bib45","doi-asserted-by":"crossref","first-page":"2239","DOI":"10.1021\/cr9500390","article-title":"Structural and functional aspects of metal sites in biology","volume":"96","author":"Holm","year":"1996","journal-title":"Chem Rev"},{"key":"10.1016\/j.sbi.2024.102817_bib46","doi-asserted-by":"crossref","first-page":"5005","DOI":"10.1021\/acs.chemrev.9b00650","article-title":"The spectroscopy of nitrogenases","volume":"120","author":"Van Stappen","year":"2020","journal-title":"Chem Rev"},{"key":"10.1016\/j.sbi.2024.102817_bib47","doi-asserted-by":"crossref","first-page":"643","DOI":"10.1002\/anie.198706431","article-title":"Biological exploitation of solar energy by photosynthetic water splitting","volume":"26","author":"Renger","year":"1987","journal-title":"Angew Chem Int Ed Engl"},{"key":"10.1016\/j.sbi.2024.102817_bib48","doi-asserted-by":"crossref","first-page":"3981","DOI":"10.1021\/cr0206014","article-title":"Manganese clusters with relevance to photosystem ii","volume":"104","author":"Mukhopadhyay","year":"2004","journal-title":"Chem Rev"},{"key":"10.1016\/j.sbi.2024.102817_bib49","doi-asserted-by":"crossref","first-page":"1084","DOI":"10.1126\/science.abb9811","article-title":"Hartree-Fock on a superconducting qubit quantum computer","volume":"369","author":"Quantum","year":"2020","journal-title":"Science"},{"key":"10.1016\/j.sbi.2024.102817_bib50","doi-asserted-by":"crossref","DOI":"10.1038\/s41598-021-90847-7","article-title":"Three novel quantum-inspired swarm optimization algorithms using different bounded potential fields","volume":"11","author":"Alvarez-Alvarado","year":"2021","journal-title":"Sci Rep"},{"key":"10.1016\/j.sbi.2024.102817_bib51","doi-asserted-by":"crossref","DOI":"10.1016\/j.compchemeng.2019.106630","article-title":"Quantum computing based hybrid solution strategies for large-scale discrete-continuous optimization problems","volume":"132","author":"Ajagekar","year":"2020","journal-title":"Comput Chem Eng"},{"key":"10.1016\/j.sbi.2024.102817_bib52","doi-asserted-by":"crossref","first-page":"282","DOI":"10.1038\/s41586-023-06095-4","article-title":"Quantum-enhanced Markov chain Monte Carlo","volume":"619","author":"Layden","year":"2023","journal-title":"Nature"},{"key":"10.1016\/j.sbi.2024.102817_bib53","series-title":"Contemporary high performance computing","first-page":"223","article-title":"Modular supercomputing architecture: from idea to production","author":"Suarez","year":"2019"},{"key":"10.1016\/j.sbi.2024.102817_sref54","doi-asserted-by":"crossref","DOI":"10.1016\/j.micpro.2022.104679","article-title":"Towards extreme scale technologies and accelerators for eurohpc hw\/sw supercomputing applications for exascale: the textarossa approach","volume":"95","author":"Agosta","year":"2022","journal-title":"Microprocess Microsyst"},{"key":"10.1016\/j.sbi.2024.102817_bib55","series-title":"2021 6th International Conference on intelligent computing and Signal processing (ICSP)","first-page":"20","article-title":"Microprocessor architecture and design in post exascale computing era","author":"Di","year":"2021"},{"key":"10.1016\/j.sbi.2024.102817_bib56","article-title":"Leveraging analog quantum computing with neutral atoms for solvent configuration prediction in drug discovery","author":"D'Arcangelo","year":"2023","journal-title":"arXiv:2309.12129"},{"key":"10.1016\/j.sbi.2024.102817_bib57","doi-asserted-by":"crossref","first-page":"82","DOI":"10.1109\/MM.2018.112130359","article-title":"Loihi: a neuromorphic manycore processor with on-chip learning","volume":"38","author":"Davies","year":"2018","journal-title":"IEEE Micro"},{"key":"10.1016\/j.sbi.2024.102817_bib58","series-title":"International Conference on high performance computing","first-page":"134","article-title":"Accelerating scientific applications with the quantum edge: a drug design use case","author":"De Maio","year":"2023"},{"key":"10.1016\/j.sbi.2024.102817_bib59","doi-asserted-by":"crossref","first-page":"2454","DOI":"10.1109\/TC.2012.142","article-title":"Overview of the spinnaker system architecture","volume":"62","author":"Furber","year":"2012","journal-title":"IEEE Trans Comput"},{"key":"10.1016\/j.sbi.2024.102817_bib60","first-page":"1","article-title":"Quantum computing in the next-generation computational biology landscape: from protein folding to molecular dynamics","author":"Pal","year":"2023","journal-title":"Mol Biotechnol"},{"key":"10.1016\/j.sbi.2024.102817_bib61","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1038\/s41534-021-00368-4","article-title":"Resource-efficient quantum algorithm for protein folding","volume":"7","author":"Robert","year":"2021","journal-title":"npj Quant Inform"}],"container-title":["Current Opinion in Structural Biology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0959440X24000447?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0959440X24000447?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,5,12]],"date-time":"2026-05-12T06:29:39Z","timestamp":1778567379000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0959440X24000447"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,8]]},"references-count":61,"alternative-id":["S0959440X24000447"],"URL":"https:\/\/doi.org\/10.1016\/j.sbi.2024.102817","relation":{},"ISSN":["0959-440X"],"issn-type":[{"value":"0959-440X","type":"print"}],"subject":[],"published":{"date-parts":[[2024,8]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Impact of quantum and neuromorphic computing on biomolecular simulations: Current status and perspectives","name":"articletitle","label":"Article Title"},{"value":"Current Opinion in Structural Biology","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.sbi.2024.102817","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2024 The Author(s). Published by Elsevier Ltd.","name":"copyright","label":"Copyright"}],"article-number":"102817"}}