Publications

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Research    Review    Educational    Chapters    Commentary    Editorial    Perspective    Misc   

Research


2024
Structure and inhibition of SARS-CoV-2 spike refolding in membranes
M W Grunst, Z Qin, E Dodero-Rojas, S Ding, J Prévost, Y Chen, Y Hu, M Pazgier, S Wu, X Xie, A Finzi, J N Onuchic, P C Whitford, W Mothes, and W Li.
Science, 385, 757-765, 2024. DOI: 10.1126/science.adn5658

Rice Univ. press release
NSF press release
Yale Univ. press release
[abstract]

2024
Mitoribosome structure with cofactors and modifications reveals mechanism of ligand binding and interactions with L1 stalk
V Singh, Y Itoh, S Del'Olio, A Hassan, A Naschberger, R K Flygaard, Y Nobe, K Izumikawa, S Aibara, J Andrell, P C Whitford, A Barrientos, M Taoka, and A Amunts.
Nature Communications, 15, 4272, 2024. DOI: 10.1038/s41467-024-48163-x
[abstract]
2023
Ratchet, swivel, tilt and roll: A complete description of subunit rotation in the ribosome
A Hassan, S Byju, F C Freitas, C Roc, N Pender, K Nguyen, E M Kimbrough, J Mattingly, R L Jr Gonzalez, R J Oliveira, C M Dunham, and P C Whitford.
Nucleic Acids Research, 51, 919-934, 2023. DOI: 10.1093/nar/gkac1211
[abstract]
2022
Genetic and structural analysis of SARS-CoV-2 spike protein for universal epitope selection
C Markosian, D I Staquicini, P Dogra, E Dodero-Rojas, J H Lubin, F H F Tang, T L Smith, V G Contessoto, S K Libutti, Z Wang, V Cristini, S D Khare, P C Whitford, S K Burley, J N Onuchic, R Pasqualini, and W Arap.
Mol. Biol. Evol., 39, msac091, 2022. DOI: 10.1093/molbev/msac091
[abstract]
2022
pH and the breast cancer recurrent mutation D538G affect the process of activation of estrogen receptor alpha
V M Oliveira, M M G Dias, T M Avelino, N B Videira, F B Silva, T R Doratioto, P C Whitford, V B P Leite, and A C M Figueira.
Biochem., 61, 455-463, 2022. DOI: 10.1021/acs.biochem.1c00806
[abstract]
2022
Identifying strategies to experimentally probe multidimensional dynamics in the ribosome
A Hassan and P C Whitford.
Journal of Physical Chemistry B, 126, 8460-8471, 2022. DOI: 10.1021/acs.jpcb.2c05706
[abstract]
2022
Diffuse ions coordinate dynamics in a ribonucleoprotein assembly
A Wang, M Levi, U Mohanty, and P C Whitford.
Journal of the American Chemical Society, 144, 9510-9522, 2022.
[abstract]
2022
SMOG 2 and OpenSMOG: Extending the limits of structure-based models
A B Oliveira Jr, V G Contessoto, A Hassan, S Byju, A Wang, Y Wang, E Dodero-Rojas, U Mohanty, J K Noel, J N Onuchic, and P C Whitford.
Protein Science, 31, 158-172, 2022. DOI: 10.1002/pro.4209
[abstract]
2022
Precise steric features control aminoacyl-tRNA accommodation on the ribosome
Y Wang, A Wang, U Mohanty, and P C Whitford.
Journal of Physical Chemistry B, 126, 8447-8459, 2022. DOI: 10.1021/acs.jpcb.2c05513
[abstract]
2022
Csk alphaC helix: A computational analysis of an essential region for conformational transitions
R V R Dias, C T A Ferreira, P A Jennings, P C Whitford, and L C de Oliveira.
Journal of Physical Chemistry B, 126, 10587-10596, 2022. DOI: 10.1021/acs.jpcb.2c05408
[abstract]
2021
The dynamics of subunit rotation in a eukaryotic ribosome
F C Freitas, G Fuchs, R J Oliveira, and P C Whitford.
Biophysica, 1, 204-221, 2021. DOI: 10.3390/biophysica1020016
[abstract]
2021
Sterically confined rearrangements of SARS-CoV-2 spike protein control cell invasion
E Dodero-Rojas, J N Onuchic, and P C Whitford.
eLife, 10, e70362, 2021. DOI: 10.7554/eLife.70362

eLife press relsease
Rice Univ. press release
[abstract]

2021
Design and proof of concept for targeted phage-based COVID-19 vaccination strategies with a streamlined cold-free supply chain
D I Staquicini, F H F Tang, C Markosian, V J Yao, F I Staquicini, E Dodero-Rojas, V G Contessoto, D Davis, P O'Brien, N Habib, T L Smith, N Bruiners, R L Sidman, M L Gennaro, E C Lattime, S K Libutti, P C Whitford, S K Burley, J N Onuchic, W Arap, and R Pasqualini.
Proceedings of the National Academy of Sciences USA, 118, e2105739118, 2021. DOI: 10.1073/pnas.2105739118

Rutgers press release
Northeastern press release
NSF press release
NSF Discovery File segment
[abstract]

2020
Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing
E D Hoffer, S Hong, S Sunita, T Maehigashi, Jnr Gonzalez, P C Whitford, and C M Dunham.
eLife, 9, e51898, 2020. DOI: 10.7554/eLife.51898
[abstract]
2020
A steric gate controls P/E hybrid-state formation of tRNA on the ribosome
M Levi, K Walak, A Wang, U Mohanty, and P C Whitford.
Nature Communications, 11, 5706, 2020. DOI: 10.1038/s41467-020-19450-0
[abstract]
2020
Simulations of phage T7 capsid expansion reveal the role of molecular sterics on dynamics
P C Whitford, W Jiang, and P Serwer.
Viruses, 12, 2020. DOI: 10.3390/v12111273
[abstract]
2020
How nanopore translocation experiments can measure RNA unfolding
P Bandarkar, H Yang, R Y Henley, M Wanunu, and P C Whitford.
Biophysical Journal, 118, 1612-1620, 2020. DOI: 10.1016/j.bpj.2020.01.030
[abstract]
2020
Probing remote residues important for catalysis in Escherichia coli ornithine transcarbamoylase
L Ngu, J N Winters, K Nguyen, K E Ramos, N A DeLateur, L Makowski, P C Whitford, M J Ondrechen, and P J Beuning.
PLoS ONE, 15, 1-27, 2020. DOI: 10.1371/journal.pone.0228487
[abstract]
2019
Drift-diffusion (DrDiff) framework determines kinetics and thermodynamics of two-state folding trajectory and tunes diffusion models
F C Freitas, A N Lima, V G Contessoto, P C Whitford, and R J Oliveira.
Journal of Chemical Physics, 151, 114106, 2019. DOI: 10.1063/1.5113499
[abstract]
2019
Diffusion of tRNA inside the ribosome is position-dependent
H Yang, P Bandarkar, R Horne, V B P Leite, J Chahine, and P C Whitford.
Journal of Chemical Physics, 151, 085102, 2019. DOI: 10.1063/1.5113814

JCP Editors' Choice 2019
[abstract]

2019
Dissecting the energetics of subunit rotation in the ribosome
M Levi and P C Whitford.
Journal of Physical Chemistry B, 123, 2812-2923, 2019. DOI: 10.1021/acs.jpcb.9b00178
[abstract]
2019
Distinguishing biomolecular pathways and metastable states
A B Oliveira, H Yang, P C Whitford, and V B P Leite.
Journal of Chemical Theory and Computation, 15, 6482-6490, 2019. DOI: 10.1021/acs.jctc.9b00704
[abstract]
2018
Disorder guides domain rearrangement in elongation factor Tu
H Yang, J Perrier, and P C Whitford.
Proteins: Structure, Function, Bioinformatics, 86, 1037-1046, 2018. DOI: 10.1002/prot.25575
[abstract]
2017
Quantifying the relationship between single-molecule probes and subunit rotation in the ribosome
M Levi, K Nguyen, L Dukaye, and P C Whitford.
Biophysical Journal, 113, 2777-2786, 2017. DOI: 10.1016/j.bpj.2017.10.021
[abstract]
2017
Anisotropic fluctuations in the ribosome determine tRNA kinetics
H Yang, J K Noel, and P C Whitford.
Journal of Physical Chemistry B, 121, 2777-2786, 2017. DOI: 10.1021/acs.jpcb.7b06828
[abstract]
2017
Nanopore-based measurements of protein size, fluctuations, and conformational changes
P Waduge, R Hu, P Bandarkar, H Yamazaki, B Cressiot, Q Zhao, P C Whitford, and M Wanunu.
ACS nano, 11, 5706-5716, 2017. DOI: 10.1021/acsnano.7b01212
[abstract]
2017
How the ribosomal A-Site finger can lead to tRNA species-dependent dynamics
K Nguyen, H Yang, and P C Whitford.
Journal of Physical Chemistry B, 121, 2767-2775, 2017. DOI: 10.1021/acs.jpcb.7b01072
[abstract]
2016
How EF-Tu can contribute to efficient proofreading of aa-tRNA by the ribosome
J K Noel and P C Whitford.
Nature Communications, 7, 13314, 2016. DOI: 10.1038/ncomms13314
[abstract]
2016
Capturing transition states for tRNA hybrid-state formation in the ribosome
K Nguyen and P C Whitford.
Journal of Physical Chemistry B, 120, 8768-8775, 2016. DOI: 10.1021/acs.jpcb.6b04476
[abstract]
2016
SMOG 2: A versatile software package for generating structure-based models
J K Noel, M Levi, M Raghunathan, H Lammert, R L. Hayes, J N Onuchic, and P C. Whitford.
PLoS Computational Biology, 12, e1004794, 2016. DOI: 10.1371/journal.pcbi.1004794
[abstract]
2016
Steric interactions lead to collective tilting motion in the ribosome during mRNA-tRNA translocation
K Nguyen and P C Whitford.
Nature Communications, 7, 10586, 2016. DOI: 10.1038/ncomms10586
[abstract]
2015
Generalized Manning condensation model captures the RNA ion atmosphere
R L Hayes, J K Noel, A Mandic, P C Whitford, K Y Sanbonmatsu, U Mohanty, and J N Onuchic.
Physical Review Letters, 114, 258105, 2015. DOI: 10.1103/PhysRevLett.114.258105
2015
Exploring the balance between folding and functional dynamics in proteins and RNA
J Jackson, K Nguyen, and P Whitford.
International Journal of Molecular Science, 16, 6868-6889, 2015. DOI: 10.3390/ijms16046868
[abstract]
2014
Capturing transition paths and transition states for conformational rearrangements in the ribosome
J K Noel, J Chahine, V B P Leite, and P C Whitford.
Biophysical Journal, 107, 2872-2881, 2014.

CORRECTION: During typesetting, two instances of the term “current smFRET” were replaced with “our smFRET” and one instance of “current experiments” was replaced with “the experiments”. Unfortunately, these changes were not noticed at the proof stage. Noel et al 2014 is a completely theoretical/computational paper, and the above phrases refer to another group’s studies.
[abstract]

2014
Order and disorder control the functional rearrangement of influenza hemagglutinin
X Lin, N R Eddy, J K Noel, P C Whitford, Q Wang, J Ma, and J N Onuchic.
Proceedings of the National Academy of Sciences USA, 111, 12049-12054, 2014. DOI: 10.1073/pnas.1412849111
[abstract]
2014
Reduced model captures Mg2+-RNA interaction free energy of riboswitches
R L Hayes, J K Noel, P C Whitford, U Mohanty, K Y Sanbonmatsu, and J N Onuchic.
Biophysical Journal, 106, 1508-1519, 2014. DOI: 10.1016/j.bpj.2014.01.042
[abstract]
2013
Simulating movement of tRNA through the ribosome during hybrid-state formation
P C Whitford and K Y Sanbonmatsu.
Journal of Chemical Physics, 139, 121919, 2013. DOI: 10.1063/1.4817212
[abstract]
2013
Connecting the kinetics and energy landscape of tRNA translocation on the ribosome
P C Whitford, S C Blanchard, J H D Cate, and K Y Sanbonmatsu.
PLoS Computational Biology, 9, e1003003, 2013. DOI: 10.1371/journal.pcbi.1003003
[abstract]
2012
Topography of funneled landscapes determines the thermodynamics and kinetics of protein folding
J Wang, R J Oliveira, X Chu, P C Whitford, J Chahine, W Han, E Wang, J N Onuchic, and V B P Leite.
Proceedings of the National Academy of Sciences USA, 109, 15763-15768, 2012. DOI: 10.1073/pnas.121284210
2012
Substrate-specific reorganization of the conformational ensemble of CSK implicates novel modes of kinase function
M A Jamros, L C Oliveira, P C Whitford, J N Onuchic, J A Adams, D K Blumenthal, and P A Jennings.
PLoS Computational Biology, 8, e1002695, 2012. DOI: 10.1371/journal.pcbi.1002695
[abstract]
2012
Magnesium fluctuations modulate rna dynamics in the SAM-I riboswitch
R L Hayes, J K Noel, U Mohanty, P C Whitford, S P Hennelly, J N Onuchic, and K Y Sanbonmatsu.
Journal of the American Chemical Society, 134, 12043-12053, 2012. DOI: 10.1021/ja301454u
[abstract]
2012
Consensus among flexible fitting approaches improves the interpretation of cryo-EM data
A Ahmed, P C Whitford, K Y Sanbonmatsu, and F Tama.
Journal of Structural Biology, 177, 561-570, 2012. DOI: 10.1016/j.jsb.2011.10.002
[abstract]
2012
Massive conformation change in the prion protein: Using dual-basin structure-based models to find misfolding pathways
J P Singh, P C Whitford, N R Hayre, J Onuchic, and D L Cox.
Proteins: Structure, Function, Bioinformatics, 80, 1299-1307, 2012. DOI: 10.1002/prot.24026
[abstract]
2012
The Shadow Map: A General Contact Definition for Capturing the Dynamics of Biomolecular Folding and Function
J K Noel, P C Whitford, and J N Onuchic.
Journal of Physical Chemistry B, 116, 8692-8702, 2012. DOI: 10.1021/jp300852d
[abstract]
2011
Excited states of ribosome translocation revealed through integrative molecular modeling
P C Whitford, A Ahmed, Y Yu, S P Hennelly, F Tama, C M T Spahn, J N Onuchic, and K Y Sanbonmatsu.
Proceedings of the National Academy of Sciences USA, 18943-18948, 2011. DOI: 10.1073/pnas.1108363108
[abstract]
2011
Allostery in the ferredoxin protein motif does not involve a conformational switch
R Nechushtai, H Lammert, D Michaeli, Y Eisenberg-domovich, J A Zuris, M A Luca, O Livnah, J N Onuchic, and P A Jennings.
Proceedings of the National Academy of Sciences USA, 108, 2240-2245, 2011. DOI: 10.1073/pnas.1019502108
[abstract]
2010
Head swivel on the ribosome facilitates translocation by means of intra-subunit tRNA hybrid sites
AH Ratje, J Loerke, A Mikolajka, M Brunner, P W Hildebrand, AL Starosta, A Donhofer, SR Connell, PFucini, T Mielke, P C Whitford, J N Onuchic, Y Yu, K Y Sanbonmatsu, RK Hartmann, PA Penczek, D N Wilson, and C M T Spahn.
Nature, 468, 713-716, 2010. DOI: 10.1038/nature09547
[abstract]
2010
Proteins at work: A combined small angle X-RAY scattering and theoretical determination of the multiple structures involved on the protein kinase functional landscape
M A Jamros, Leandro C Oliveira, P C Whitford, J N Onuchic, Jph A Adams, Donald K Blumenthal, and P A Jennings.
J Biol Chem, 285, 36121-8, 2010. DOI: 10.1074/jbc.M110.116947
[abstract]
2010
Connecting energy landscapes with experimental rates for aminoacyl-tRNA accommodation in the ribosome
P C Whitford, J N Onuchic, and K Y Sanbonmatsu.
Journal of the American Chemical Society, 132, 13170-13171, 2010. DOI: 10.1021/ja1061399
[abstract]
2010
The origin of nonmonotonic complex behavior and the effects of nonnative interactions on the diffusive properties of protein folding
R J Oliveira, P C Whitford, J Chahine, J Wang, J N Onuchic, and V B P Leite.
Biophys J, 99, 600-8, 2010. DOI: 10.1016/j.bpj.2010.04.041
[abstract]
2010
SMOG@ctbp: Simplified deployment of structure-based models in GROMACS
J K Noel, P C Whitford, K Y Sanbonmatsu, and J N Onuchic.
Nucleic Acids Res, W657-61, 2010. DOI: 10.1093/nar/gkq498
[abstract]
2010
Accommodation of aminoacyl-tRNA into the ribosome involves reversible excursions along multiple pathways
P C Whitford, P Geggier, R B Altman, S C Blanchard, J N Onuchic, and K Y Sanbonmatsu.
RNA, 16, 1196-1204, 2010. DOI: 10.1261/rna.2035410
[abstract]
2009
An all-atom structure-based potential for proteins: Bridging minimal models with all-atom empirical forcefields
PC Whitford, JK Noel, S Gosavi, A Schug, KY Sanbonmatsu, and JN Onuchic.
Proteins: Structure, Function, Bioinformatics, 75, 430-41, 2009. DOI: 10.1002/prot.22253
[abstract]
2009
Nonlocal helix formation is key to understanding S-adenosylmethionine-1 riboswitch function
PC Whitford, A Schug, J Saunders, SP Hennelly, JN Onuchic, and KY Sanbonmatsu.
Biophys J, 96, L7-L9, 2009. DOI: 10.1016/j.bpj.2008.10.033
[abstract]
2008
Extracting function from a beta-trefoil folding motif
S Gosavi, PC Whitford, PA Jennings, and JN Onuchic.
Proceedings of the National Academy of Sciences USA, 105, 10384-10389, 2008.
[abstract]
2008
Conformational transitions in adenylate kinase - Allosteric communication reduces misligation
P C Whitford, S Gosavi, and J N Onuchic.
J Biol Chem, 283, 2042-2048, 2008. DOI: 10.1074/jbc.M707632200
[abstract]
2007
A novel disulfide bond in the SH2 domain of the C-terminal Src kinase controls catalytic activity
J E Mills, P C Whitford, J Shaffer, JN Onuchic, J A Adams, and P A Jennings.
J Mol Biol, 365, 1460-8, 2007. DOI: 10.1016/j.jmb.2006.10.076
[abstract]
2007
Conformational transitions of adenylate kinase: Switching by cracking
PC Whitford, O Miyashita, Y Levy, and JN Onuchic.
J Mol Biol, 366, 1661-1671, 2007. DOI: 10.1016/j.jmb.2006.11.085
[abstract]
2007
Mutations as trapdoors to two competing native conformations of the Rop-dimer
A Schug, P C Whitford, Y Levy, and J N Onuchic.
Proc Nat Acad Sci USA, 104, 17674-17679, 2007. DOI: 10.1073/pnas.0706077104
[abstract]
2005
Enhanced septahedral ordering in cold Lennard-Jones fluids
P C Whitford and George D J Phillies.
Physical Review E, 72, 021203, 2005.
2005
Extended-range order, diverging static length scales, and local structure formation in cold Lennard-Jones fluids
P C Whitford and George D J Phillies.
J Chem Phys, 122, 44508, 2005. DOI: 10.1063/1.1836751
[abstract]
2003
Mode structure of diffusive transport in hydroxypropylcellulose : water
GDJ Phillies, R O'Connell, P C Whitford, and KA Streletzky.
J Chem Phys, 119, 9903-9913, 2003. DOI: 10.1063/1.1615968
[abstract]

Review


2024
The energy landscape of the ribosome
S Byju, A Hassan, and P C Whitford.
Biopolymers, 115, e23570, 2024.
[abstract]
2021
The energetics of subunit rotation in the ribosome
A Hassan, S Byju, and P C Whitford.
Biophysical Reviews, 13, 1029-1037, 2021. DOI: 10.1007/s12551-021-00877-8
[abstract]
2019
Studying ribosome dynamics with simplified models
M Levi, J K Noel, and P C Whitford.
Methods, 162-163, 128 - 140, 2019.
[abstract]
2015
What protein folding teaches us about biological function and molecular machines
P C Whitford and J N Onuchic.
Current Opinions in Structural Biology, 30, 57-62, 2015. DOI: 10.1016/j.sbi.2014.12.003
[abstract]
2015
The ribosome's energy landscape: Recent insights from computation
P C Whitford.
Biophysical Reviews, 7, 301-310, 2015.
2014
How simulations reveal dynamics, disorder, and the energy landscapes of biomolecular function
J K Noel and P C Whitford.
Israel Journal of Chemistry, 54, 1093-1107, 2014.
[abstract]
2012
Biomolecular dynamics: Order-disorder transitions and energy landscapes
P C Whitford, K Y Sanbonmatsu, and J N Onuchic.
Reports on Progress in Physics, 75, 076601, 2012.
2010
Coordinate and time-dependent diffusion dynamics in protein folding
R J Oliveira, P C Whitford, J Chahine, V B P Leite, and J Wang.
Methods, 52, 91-98, 2010. DOI: 10.1016/j.ymeth.2010.04.016
[abstract]

Educational


2022
Quantifying biomolecular diffusion with a 'spherical cow' model
F C Freitas, S Byju, A Hassan, R J Oliveira, and P C Whitford.
American Journal of Physics, 90, 225-238, 2022. DOI: 10.1119/5.0075952
[abstract]

Chapters


2022
Probing the Energy Landscapes of Biomolecular Folding and Function
P C Whitford and J N Onuchic.
In Physics of Molecular and Cellular Processes. 61-82, 2022. DOI: 10.1007/978-3-030-98606-3_2
[abstract]
2022
Energetic and Structural Properties of Macromolecular Assemblies
P C Whitford.
In Physics of Molecular and Cellular Processes. 83-105, 2022. DOI: 10.1007/978-3-030-98606-3_3
[abstract]
2019
Using SMOG 2 to Simulate Complex Biomolecular Assemblies
M Levi, P Bandarkar, H Yang, A Wang, U Mohanty, J K Noel, and P C Whitford.
In Biomolecular Simulations: Methods and Protocols. 129-151, 2019. DOI: 10.1007/978-1-4939-9608-7_6
[abstract]
2013
Molecular Dynamics Simulations of the Ribosome
K Y. Sanbonmatsu, S C Blanchard, and P C Whitford.
In Biophysical approaches to translational control of gene expression. 51-68, 2013. DOI: 10.1007/978-1-4614-3991-2_3
[abstract]
2011
Chapter 4: Information processing by nanomachines: decoding by the ribosome
K Y Sanbonmatsu, S C Blanchard, and P C Whitford.
In Molecular Machines. 67-86, 2011.
2011
Dynamic views of ribosome function: Energy landscapes and ensembles
P. C. Whitford, R. B. Altman, P. Geggier, D. S. Terry, J. B. Munro, J. N. Onuchic, C. M. T. Spahn, K. Y. Sanbonmatsu, and S. C. Blanchard.
In Ribosomes: Structure, Function, and Dynamics. 303-319, 2011. DOI: 10.1007/978-3-7091-0215-2_24
[abstract]

Commentary


2021
Overview of the biomolecular association and dynamics session at the 20th IUPAB congress, 45th Brazilian congress of SBBF, and the 50th annual meeting of SBBq
P C Whitford.
Biophysical Reviews, 13, 863-865, 2021. DOI: 10.1007/s12551-021-00884-9
[abstract]
2013
Disorder guides protein function
P C Whitford.
Proceedings of the National Academy of Sciences USA, 110, 7114-7115, 2013. DOI: 10.1073/pnas.130523611
2008
Energy landscape along an enzymatic reaction trajectory: hinges or cracks?
P C Whitford, JN Onuchic, and PG Wolynes.
Hfsp J, 2, 61-64, 2008. DOI: 10.2976/1.2894846
[abstract]

Editorial


2019
Experimental and computational techniques for studying structural dynamics and function of RNA
D N Ermolenko and P C Whitford.
Methods, 162-163, 1-2, 2019.

Perspective


2017
Challenges in describing ribosome dynamics
K Nguyen and P C Whitford.
Physical Biology, 14, 023001, 2017.
[abstract]

Misc


2023
Tribute to Jose Onuchic
F Morcos, P C Whitford, and M S Cheung.
Journal of Physical Chemistry B, 127, 7553-7555, 2023. DOI: 10.1021/acs.jpcb.3c05234
2023
Biography of Jose Onuchic
F Morcos, P C Whitford, and M S Cheung.
Journal of Physical Chemistry B, 127, 7556-7557, 2023. DOI: 10.1021/acs.jpcb.3c05233
2023
Structure-function dynamics hybrid modeling: RNA degradation
H Zheng, W Xie, C Fang, W Xu, P C Whitford, and A Wang.
2023 Winter Simulation Conference (WSC), 480-491, 2023. DOI: 10.1109/WSC60868.2023.10407123