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| Open AccessA spatiotemporal multi-scale computational model for FDG PET imaging at different stages of tumor growth and angiogenesis
- Farshad Moradi Kashkooli
- , Mohammad Amin Abazari
- & Arman Rahmim
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| Open AccessExtracting time series matching a small-angle X-ray scattering profile from trajectories of molecular dynamics simulations
- Masahiro Shimizu
- , Aya Okuda
- & Masaaki Sugiyama
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| Open AccessAsymmetric effects of amphipathic molecules on mechanosensitive channels
- Omid Bavi
- , Zijing Zhou
- & B. Martinac
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| Open AccessDynamic insights into the effects of nonsynonymous polymorphisms (nsSNPs) on loss of TREM2 function
- Raju Dash
- , Yeasmin Akter Munni
- & Il Soo Moon
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| Open AccessNon-covalent Fc-Fab interactions significantly alter internal dynamics of an IgG1 antibody
- Ramakrishnan Natesan
- & Neeraj J. Agrawal
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| Open AccessLiver cancer treatment with integration of laser emission and microwave irradiation with the aid of gold nanoparticles
- Saeedeh Kabiri
- & Fatemeh Rezaei
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| Open AccessA computational model of organism development and carcinogenesis resulting from cells’ bioelectric properties and communication
- Joao Carvalho
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| Open AccessIncorporation of machine learning and deep neural network approaches into a remote sensing-integrated crop model for the simulation of rice growth
- Seungtaek Jeong
- , Jonghan Ko
- & Jong-min Yeom
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| Open AccessAssessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants
- Clauber Henrique Souza da Costa
- , Camila Auad Beltrão de Freitas
- & Jerônimo Lameira
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| Open AccessAtomic-scale interactions between quorum sensing autoinducer molecules and the mucoid P. aeruginosa exopolysaccharide matrix
- Oliver J. Hills
- , Chin W. Yong
- & Helen F. Chappell
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| Open AccessDecoding the protein–ligand interactions using parallel graph neural networks
- Carter Knutson
- , Mridula Bontha
- & Neeraj Kumar
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| Open AccessA database of calculated solution parameters for the AlphaFold predicted protein structures
- Emre Brookes
- & Mattia Rocco
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| Open AccessMechanistic insights of ABC importer HutCD involved in heme internalization by Vibrio cholerae
- Indrila Saha
- , Shrestha Chakraborty
- & Jhimli Dasgupta
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| Open AccessArrhythmogenic influence of mutations in a myocyte-based computational model of the pulmonary vein sleeve
- Karoline Horgmo Jæger
- , Andrew G. Edwards
- & Aslak Tveito
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| Open AccessOptimization of intraperitoneal aerosolized drug delivery using computational fluid dynamics (CFD) modeling
- Mohammad Rahimi-Gorji
- , Charlotte Debbaut
- & Wim Ceelen
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| Open AccessObservations about utilitarian coherence in the avian compass
- Luke D. Smith
- , Jean Deviers
- & Daniel R. Kattnig
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| Open AccessIntegrating protein copy numbers with interaction networks to quantify stoichiometry in clathrin-mediated endocytosis
- Daisy Duan
- , Meretta Hanson
- & Margaret E. Johnson
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| Open AccessAtomistic mechanisms of human TRPA1 activation by electrophile irritants through molecular dynamics simulation and mutual information analysis
- Matthew Habgood
- , David Seiferth
- & Philip C. Biggin
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| Open AccessNumerical study on the effect of capacitively coupled electrical stimulation on biological cells considering model uncertainties
- Julius Zimmermann
- , Richard Altenkirch
- & Ursula van Rienen
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| Open AccessKinetic interplay between droplet maturation and coalescence modulates shape of aged protein condensates
- Adiran Garaizar
- , Jorge R. Espinosa
- & Rosana Collepardo-Guevara
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| Open AccessInverting angiogenesis with interstitial flow and chemokine matrix-binding affinity
- Adrian Moure
- , Guillermo Vilanova
- & Hector Gomez
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| Open AccessRole of senescent cells in the motile behavior of active, non-senescent cells in confluent populations
- Thamara Liz Gabuardi
- , Hyun Gyu Lee
- & Kyoung J. Lee
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| Open AccessInhibition of the hexamerization of SARS-CoV-2 endoribonuclease and modeling of RNA structures bound to the hexamer
- Duy Phuoc Tran
- , Yuta Taira
- & Akio Kitao
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| Open AccessCharacterization of γ-H2AX foci formation under alpha particle and X-ray exposures for dose estimation
- Ui-Seob Lee
- , Dong-Hyun Lee
- & Eun-Hee Kim
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| Open AccessTopological data analysis gives two folding paths in HP35(nle-nle), double mutant of villin headpiece subdomain
- Takashi Ichinomiya
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| Open AccessContagion dynamics in self-organized systems of self-propelled agents
- Yinong Zhao
- , Cristián Huepe
- & Pawel Romanczuk
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| Open AccessModelling of the dynamic polarizability of macromolecules for single-molecule optical biosensing
- Larnii S. Booth
- , Eloise V. Browne
- & Warwick P. Bowen
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| Open AccessAgent-based models for detecting the driving forces of biomolecular interactions
- Stefano Maestri
- , Emanuela Merelli
- & Marco Pettini
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| Open AccessEphaptic entrainment in hybrid neuronal model
- Gabriel Moreno Cunha
- , Gilberto Corso
- & Gustavo Zampier Dos Santos Lima
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| Open AccessA practical approach for continuous in situ characterization of radiation quality factors in space
- Igor Shuryak
- , Tony C. Slaba
- & David J. Brenner
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| Open AccessA computational modeling of invadopodia protrusion into an extracellular matrix fiber network
- Min-Cheol Kim
- , Ran Li
- & H. Harry Asada
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| Open AccessThe impact of calcitriol and estradiol on the SARS-CoV-2 biological activity: a molecular modeling approach
- Alireza Mansouri
- , Rasoul Kowsar
- & Akio Miyamoto
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| Open AccessRadical pairs can explain magnetic field and lithium effects on the circadian clock
- Hadi Zadeh-Haghighi
- & Christoph Simon
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| Open AccessDistribution and history of extensional stresses on vWF surrogate molecules in turbulent flow
- Oanh L. Pham
- , Samuel E. Feher
- & Dimitrios V. Papavassiliou
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| Open AccessDetermination of tyrosinase-cyanidin-3-O-glucoside and (−/+)-catechin binding modes reveal mechanistic differences in tyrosinase inhibition
- Kyung Eun Lee
- , Shiv Bharadwaj
- & Sang Gu Kang
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| Open AccessThe role of cysteine residues in the allosteric modulation of the chromophore phototransformations of biphotochromic fluorescent protein SAASoti
- A. V. Gavshina
- , N. K. Marynich
- & A. P. Savitsky
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| Open AccessSuperspreading quantified from bursty epidemic trajectories
- Julius B. Kirkegaard
- & Kim Sneppen
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| Open AccessStudy of Non-Newtonian biomagnetic blood flow in a stenosed bifurcated artery having elastic walls
- Hasan Shahzad
- , Xinhua Wang
- & Marek Krawczuk
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| Open AccessThe role of calcium oscillations in the phenotype selection in endothelial cells
- Birses Debir
- , Cameron Meaney
- & M. Burcin Unlu
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| Open AccessCommunication pathways bridge local and global conformations in an IgG4 antibody
- Thomas Tarenzi
- , Marta Rigoli
- & Raffaello Potestio
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| Open AccessEffects of pulse parameters on the temperature distribution of a human head exposed to the electromagnetic pulse
- Shan Wang
- , Zhongguo Song
- & Jianjun Kang
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| Open AccessUnderstanding the role of the CB1 toggle switch in interaction networks using molecular dynamics simulation
- Sangho Ji
- , Wonjin Yang
- & Wookyung Yu
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| Open AccessAn integrated computational framework to design a multi-epitopes vaccine against Mycobacterium tuberculosis
- Aqel Albutti
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| Open AccessPeak ependymal cell stretch overlaps with the onset locations of periventricular white matter lesions
- Valery L. Visser
- , Henry Rusinek
- & Johannes Weickenmeier
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| Open AccessSitosterol and glucosylceramide cooperative transversal and lateral uneven distribution in plant membranes
- V. Rondelli
- , A. Koutsioubas
- & M. Deleu
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| Open AccessA systematic approach for developing mechanistic models for realistic simulation of cancer cell motion and deformation
- Pouyan Keshavarz Motamed
- & Nima Maftoon
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| Open AccessPredictive simulation of post-stroke gait with functional electrical stimulation
- Gilmar F. Santos
- , Eike Jakubowitz
- & Christof Hurschler
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| Open AccessThe role of network connectivity on epileptiform activity
- G. Giacopelli
- , D. Tegolo
- & M. Migliore
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| Open AccessEffectiveness of using representative subsets of global climate models in future crop yield projections
- Budong Qian
- , Qi Jing
- & Di Ma