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Showing 133 to 143 of 143 entries
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Periodic subsystem density-functional theory.

The Journal of chemical physics

Genova A, Ceresoli D, Pavanello M.
PMID: 25381496
J Chem Phys. 2014 Nov 07;141(17):174101. doi: 10.1063/1.4897559.

By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) has recently emerged as a powerful tool for reducing the computational scaling of Kohn-Sham DFT. To date, however, FDE...

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Genova A, Ceresoli D, Pavanello M. Periodic subsystem density-functional theory. J Chem Phys. 2014;141(17):174101doi: 10.1063/1.4897559.
Genova, A., Ceresoli, D., & Pavanello, M. (2014). Periodic subsystem density-functional theory. The Journal of chemical physics, 141(17), 174101. https://doi.org/10.1063/1.4897559
Genova, Alessandro, et al. "Periodic subsystem density-functional theory." The Journal of chemical physics vol. 141,17 (2014): 174101. doi: https://doi.org/10.1063/1.4897559
Genova A, Ceresoli D, Pavanello M. Periodic subsystem density-functional theory. J Chem Phys. 2014 Nov 07;141(17):174101. doi: 10.1063/1.4897559. PMID: 25381496.
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Effect of metallation, substituents and inter/intra-molecular polarization on electronic couplings for hole transport in stacked porphyrin dyads.

Physical chemistry chemical physics : PCCP

Hernández-Fernández F, Pavanello M, Visscher L.
PMID: 27053092
Phys Chem Chem Phys. 2016 Aug 03;18(31):21122-32. doi: 10.1039/c6cp00516k.

We carried out a systematic study of the hole transport properties for a series of symmetrically stacked porphyrin dimers. In the first part of this study, we evaluated the sensitivity of electronic couplings to orbital relaxation due to molecular...

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Hernández-Fernández F, Pavanello M, Visscher L. Effect of metallation, substituents and inter/intra-molecular polarization on electronic couplings for hole transport in stacked porphyrin dyads. Phys Chem Chem Phys. 2016;18(31):21122-32doi: 10.1039/c6cp00516k.
Hernández-Fernández, F., Pavanello, M., & Visscher, L. (2016). Effect of metallation, substituents and inter/intra-molecular polarization on electronic couplings for hole transport in stacked porphyrin dyads. Physical chemistry chemical physics : PCCP, 18(31), 21122-32. https://doi.org/10.1039/c6cp00516k
Hernández-Fernández, F, et al. "Effect of metallation, substituents and inter/intra-molecular polarization on electronic couplings for hole transport in stacked porphyrin dyads." Physical chemistry chemical physics : PCCP vol. 18,31 (2016): 21122-32. doi: https://doi.org/10.1039/c6cp00516k
Hernández-Fernández F, Pavanello M, Visscher L. Effect of metallation, substituents and inter/intra-molecular polarization on electronic couplings for hole transport in stacked porphyrin dyads. Phys Chem Chem Phys. 2016 Aug 03;18(31):21122-32. doi: 10.1039/c6cp00516k. PMID: 27053092.
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Prevalence, risk factors and outcomes of patients coming from the community with sepsis due to multidrug resistant bacteria.

Multidisciplinary respiratory medicine

Capsoni N, Bellone P, Aliberti S, Sotgiu G, Pavanello D, Visintin B, Callisto E, Saderi L, Soldini D, Lardera L, Monzani V, Brambilla AM.
PMID: 31312449
Multidiscip Respir Med. 2019 Jul 05;14:23. doi: 10.1186/s40248-019-0185-4. eCollection 2019.

BACKGROUND: Although previous studies showed an increasing prevalence of infections due to multi-drug resistant (MDR) bacteria in the community, specific data on sepsis are lacking. We aimed to assess prevalence, risk factors and outcomes of patients with sepsis due...

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Capsoni N, Bellone P, Aliberti S, et al. Prevalence, risk factors and outcomes of patients coming from the community with sepsis due to multidrug resistant bacteria. Multidiscip Respir Med. 2019;14:23doi: 10.1186/s40248-019-0185-4.
Capsoni, N., Bellone, P., Aliberti, S., Sotgiu, G., Pavanello, D., Visintin, B., Callisto, E., Saderi, L., Soldini, D., Lardera, L., Monzani, V., & Brambilla, A. M. (2019). Prevalence, risk factors and outcomes of patients coming from the community with sepsis due to multidrug resistant bacteria. Multidisciplinary respiratory medicine, 1423. https://doi.org/10.1186/s40248-019-0185-4
Capsoni, Nicolò, et al. "Prevalence, risk factors and outcomes of patients coming from the community with sepsis due to multidrug resistant bacteria." Multidisciplinary respiratory medicine vol. 14 (2019): 23. doi: https://doi.org/10.1186/s40248-019-0185-4
Capsoni N, Bellone P, Aliberti S, Sotgiu G, Pavanello D, Visintin B, Callisto E, Saderi L, Soldini D, Lardera L, Monzani V, Brambilla AM. Prevalence, risk factors and outcomes of patients coming from the community with sepsis due to multidrug resistant bacteria. Multidiscip Respir Med. 2019 Jul 05;14:23. doi: 10.1186/s40248-019-0185-4. eCollection 2019. PMID: 31312449; PMCID: PMC6610920.
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MYC assembles and stimulates topoisomerases 1 and 2 in a "topoisome".

Molecular cell

Das SK, Kuzin V, Cameron DP, Sanford S, Jha RK, Nie Z, Rosello MT, Holewinski R, Andresson T, Wisniewski J, Natsume T, Price DH, Lewis BA, Kouzine F, Levens D, Baranello L.
PMID: 34890565
Mol Cell. 2021 Dec 06; doi: 10.1016/j.molcel.2021.11.016. Epub 2021 Dec 06.

High-intensity transcription and replication supercoil DNA to levels that can impede or halt these processes. As a potent transcription amplifier and replication accelerator, the proto-oncogene MYC must manage this interfering torsional stress. By comparing gene expression with the recruitment...

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Das SK, Kuzin V, Cameron DP, et al. MYC assembles and stimulates topoisomerases 1 and 2 in a "topoisome". Mol Cell. 2021;doi: 10.1016/j.molcel.2021.11.016.
Das, S. K., Kuzin, V., Cameron, D. P., Sanford, S., Jha, R. K., Nie, Z., Rosello, M. T., Holewinski, R., Andresson, T., Wisniewski, J., Natsume, T., Price, D. H., Lewis, B. A., Kouzine, F., Levens, D., & Baranello, L. (2021). MYC assembles and stimulates topoisomerases 1 and 2 in a "topoisome". Molecular cell, . https://doi.org/10.1016/j.molcel.2021.11.016
Das, Subhendu K, et al. "MYC assembles and stimulates topoisomerases 1 and 2 in a "topoisome"." Molecular cell vol. (2021). doi: https://doi.org/10.1016/j.molcel.2021.11.016
Das SK, Kuzin V, Cameron DP, Sanford S, Jha RK, Nie Z, Rosello MT, Holewinski R, Andresson T, Wisniewski J, Natsume T, Price DH, Lewis BA, Kouzine F, Levens D, Baranello L. MYC assembles and stimulates topoisomerases 1 and 2 in a "topoisome". Mol Cell. 2021 Dec 06; doi: 10.1016/j.molcel.2021.11.016. Epub 2021 Dec 06. PMID: 34890565.
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Lean in one way, in obesity another: effects of moderate exercise in brown adipose tissue of early overfed male Wistar rats.

International journal of obesity (2005)

Almeida DL, Moreira VM, Cardoso LE, Junior MDF, Pavanelo A, Ribeiro TA, da Silva Franco CC, Tófolo LP, Peres MNC, Ribeiro MVG, Ferreira ARO, Gomes RM, Miranda RA, Trevenzoli IH, Armitage JA, Palma-Rigo K, de Freitas Mathias PC.
PMID: 34552207
Int J Obes (Lond). 2022 Jan;46(1):137-143. doi: 10.1038/s41366-021-00969-1. Epub 2021 Sep 22.

BACKGROUND: Early postnatal overfeeding (PO) induces long-term overweight and reduces brown adipose tissue (BAT) thermogenesis. Exercise has been suggested as a possible intervention to increase BAT function. In this study, we investigated chronical effects of moderate-intensity exercise in BAT...

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Almeida DL, Moreira VM, Cardoso LE, et al. Lean in one way, in obesity another: effects of moderate exercise in brown adipose tissue of early overfed male Wistar rats. Int J Obes (Lond). 2021;46(1):137-143doi: 10.1038/s41366-021-00969-1.
Almeida, D. L., Moreira, V. M., Cardoso, L. E., Junior, M. D. F., Pavanelo, A., Ribeiro, T. A., da Silva Franco, C. C., Tófolo, L. P., Peres, M. N. C., Ribeiro, M. V. G., Ferreira, A. R. O., Gomes, R. M., Miranda, R. A., Trevenzoli, I. H., Armitage, J. A., Palma-Rigo, K., & de Freitas Mathias, P. C. (2022). Lean in one way, in obesity another: effects of moderate exercise in brown adipose tissue of early overfed male Wistar rats. International journal of obesity (2005), 46(1), 137-143. https://doi.org/10.1038/s41366-021-00969-1
Almeida, Douglas Lopes, et al. "Lean in one way, in obesity another: effects of moderate exercise in brown adipose tissue of early overfed male Wistar rats." International journal of obesity (2005) vol. 46,1 (2022): 137-143. doi: https://doi.org/10.1038/s41366-021-00969-1
Almeida DL, Moreira VM, Cardoso LE, Junior MDF, Pavanelo A, Ribeiro TA, da Silva Franco CC, Tófolo LP, Peres MNC, Ribeiro MVG, Ferreira ARO, Gomes RM, Miranda RA, Trevenzoli IH, Armitage JA, Palma-Rigo K, de Freitas Mathias PC. Lean in one way, in obesity another: effects of moderate exercise in brown adipose tissue of early overfed male Wistar rats. Int J Obes (Lond). 2022 Jan;46(1):137-143. doi: 10.1038/s41366-021-00969-1. Epub 2021 Sep 22. PMID: 34552207.
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GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals.

Journal of chemical theory and computation

Shao X, Mi W, Pavanello M.
PMID: 33983729
J Chem Theory Comput. 2021 Jun 08;17(6):3455-3461. doi: 10.1021/acs.jctc.1c00283. Epub 2021 May 13.

The key feature of nonlocal kinetic energy functionals is their ability to reduce to the Thomas-Fermi functional in the regions of high density and to the von Weizsäcker functional in the region of low-density/high reduced density gradient. This behavior...

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Shao X, Mi W, Pavanello M. GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals. J Chem Theory Comput. 2021;17(6):3455-3461doi: 10.1021/acs.jctc.1c00283.
Shao, X., Mi, W., & Pavanello, M. (2021). GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals. Journal of chemical theory and computation, 17(6), 3455-3461. https://doi.org/10.1021/acs.jctc.1c00283
Shao, Xuecheng, et al. "GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals." Journal of chemical theory and computation vol. 17,6 (2021): 3455-3461. doi: https://doi.org/10.1021/acs.jctc.1c00283
Shao X, Mi W, Pavanello M. GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals. J Chem Theory Comput. 2021 Jun 08;17(6):3455-3461. doi: 10.1021/acs.jctc.1c00283. Epub 2021 May 13. PMID: 33983729.
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Lean in one way, in obesity another: effects of moderate exercise in brown adipose tissue of early overfed male Wistar rats.

International journal of obesity (2005)

Almeida DL, Moreira VM, Cardoso LE, Junior MDF, Pavanelo A, Ribeiro TA, da Silva Franco CC, Tófolo LP, Peres MNC, Ribeiro MVG, Ferreira ARO, Gomes RM, Miranda RA, Trevenzoli IH, Armitage JA, Palma-Rigo K, de Freitas Mathias PC.
PMID: 34552207
Int J Obes (Lond). 2021 Sep 22; doi: 10.1038/s41366-021-00969-1. Epub 2021 Sep 22.

BACKGROUND: Early postnatal overfeeding (PO) induces long-term overweight and reduces brown adipose tissue (BAT) thermogenesis. Exercise has been suggested as a possible intervention to increase BAT function. In this study, we investigated chronical effects of moderate-intensity exercise in BAT...

Cite
Almeida DL, Moreira VM, Cardoso LE, et al. Lean in one way, in obesity another: effects of moderate exercise in brown adipose tissue of early overfed male Wistar rats. Int J Obes (Lond). 2021;doi: 10.1038/s41366-021-00969-1.
Almeida, D. L., Moreira, V. M., Cardoso, L. E., Junior, M. D. F., Pavanelo, A., Ribeiro, T. A., da Silva Franco, C. C., Tófolo, L. P., Peres, M. N. C., Ribeiro, M. V. G., Ferreira, A. R. O., Gomes, R. M., Miranda, R. A., Trevenzoli, I. H., Armitage, J. A., Palma-Rigo, K., & de Freitas Mathias, P. C. (2021). Lean in one way, in obesity another: effects of moderate exercise in brown adipose tissue of early overfed male Wistar rats. International journal of obesity (2005), . https://doi.org/10.1038/s41366-021-00969-1
Almeida, Douglas Lopes, et al. "Lean in one way, in obesity another: effects of moderate exercise in brown adipose tissue of early overfed male Wistar rats." International journal of obesity (2005) vol. (2021). doi: https://doi.org/10.1038/s41366-021-00969-1
Almeida DL, Moreira VM, Cardoso LE, Junior MDF, Pavanelo A, Ribeiro TA, da Silva Franco CC, Tófolo LP, Peres MNC, Ribeiro MVG, Ferreira ARO, Gomes RM, Miranda RA, Trevenzoli IH, Armitage JA, Palma-Rigo K, de Freitas Mathias PC. Lean in one way, in obesity another: effects of moderate exercise in brown adipose tissue of early overfed male Wistar rats. Int J Obes (Lond). 2021 Sep 22; doi: 10.1038/s41366-021-00969-1. Epub 2021 Sep 22. PMID: 34552207.
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Transient Receptor Potential Vanilloid Subtype 1: Potential Role in Infection, Susceptibility, Symptoms and Treatment of COVID-19.

Frontiers in medicine

Liviero F, Campisi M, Mason P, Pavanello S.
PMID: 34805220
Front Med (Lausanne). 2021 Nov 04;8:753819. doi: 10.3389/fmed.2021.753819. eCollection 2021.

The battle against the new coronavirus that continues to kill millions of people will be still long. Novel strategies are demanded to control infection, mitigate symptoms and treatment of COVID-19. This is even more imperative given the long sequels...

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Liviero F, Campisi M, Mason P, et al. Transient Receptor Potential Vanilloid Subtype 1: Potential Role in Infection, Susceptibility, Symptoms and Treatment of COVID-19. Front Med (Lausanne). 2021;8:753819doi: 10.3389/fmed.2021.753819.
Liviero, F., Campisi, M., Mason, P., & Pavanello, S. (2021). Transient Receptor Potential Vanilloid Subtype 1: Potential Role in Infection, Susceptibility, Symptoms and Treatment of COVID-19. Frontiers in medicine, 8753819. https://doi.org/10.3389/fmed.2021.753819
Liviero, Filippo, et al. "Transient Receptor Potential Vanilloid Subtype 1: Potential Role in Infection, Susceptibility, Symptoms and Treatment of COVID-19." Frontiers in medicine vol. 8 (2021): 753819. doi: https://doi.org/10.3389/fmed.2021.753819
Liviero F, Campisi M, Mason P, Pavanello S. Transient Receptor Potential Vanilloid Subtype 1: Potential Role in Infection, Susceptibility, Symptoms and Treatment of COVID-19. Front Med (Lausanne). 2021 Nov 04;8:753819. doi: 10.3389/fmed.2021.753819. eCollection 2021. PMID: 34805220; PMCID: PMC8599155.
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RNF213 variant in a patient with Legius syndrome associated with moyamoya syndrome.

Molecular genetics & genomic medicine

Romanisio G, Chelleri C, Scala M, Piccolo G, Carlini B, Gatti L, Capra V, Zara F, Bersano A, Pavanello M, De Marco P, Diana MC.
PMID: 33939317
Mol Genet Genomic Med. 2021 Jun;9(6):e1669. doi: 10.1002/mgg3.1669. Epub 2021 May 03.

No abstract available.

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Romanisio G, Chelleri C, Scala M, et al. RNF213 variant in a patient with Legius syndrome associated with moyamoya syndrome. Mol Genet Genomic Med. 2021;9(6):e1669doi: 10.1002/mgg3.1669.
Romanisio, G., Chelleri, C., Scala, M., Piccolo, G., Carlini, B., Gatti, L., Capra, V., Zara, F., Bersano, A., Pavanello, M., De Marco, P., & Diana, M. C. (2021). RNF213 variant in a patient with Legius syndrome associated with moyamoya syndrome. Molecular genetics & genomic medicine, 9(6), e1669. https://doi.org/10.1002/mgg3.1669
Romanisio, Giulia, et al. "RNF213 variant in a patient with Legius syndrome associated with moyamoya syndrome." Molecular genetics & genomic medicine vol. 9,6 (2021): e1669. doi: https://doi.org/10.1002/mgg3.1669
Romanisio G, Chelleri C, Scala M, Piccolo G, Carlini B, Gatti L, Capra V, Zara F, Bersano A, Pavanello M, De Marco P, Diana MC. RNF213 variant in a patient with Legius syndrome associated with moyamoya syndrome. Mol Genet Genomic Med. 2021 Jun;9(6):e1669. doi: 10.1002/mgg3.1669. Epub 2021 May 03. PMID: 33939317; PMCID: PMC8222830.
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Longer Leukocytes Telomere Length Predicts a Significant Survival Advantage in the Elderly TRELONG Cohort, with Short Physical Performance Battery Score and Years of Education as Main Determinants for Telomere Elongation.

Journal of clinical medicine

Pavanello S, Campisi M, Grassi A, Mastrangelo G, Durante E, Veronesi A, Gallucci M.
PMID: 34441997
J Clin Med. 2021 Aug 20;10(16). doi: 10.3390/jcm10163700.

Leukocyte telomere length (LTL) represents a key integrating component of the cumulative effects of environmental, lifestyle, and genetic factors. A question, however, remains on whether LTL can be considered predictive for a longer and healthier life. Within the elderly...

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Pavanello S, Campisi M, Grassi A, et al. Longer Leukocytes Telomere Length Predicts a Significant Survival Advantage in the Elderly TRELONG Cohort, with Short Physical Performance Battery Score and Years of Education as Main Determinants for Telomere Elongation. J Clin Med. 2021;10(16)doi: 10.3390/jcm10163700.
Pavanello, S., Campisi, M., Grassi, A., Mastrangelo, G., Durante, E., Veronesi, A., & Gallucci, M. (2021). Longer Leukocytes Telomere Length Predicts a Significant Survival Advantage in the Elderly TRELONG Cohort, with Short Physical Performance Battery Score and Years of Education as Main Determinants for Telomere Elongation. Journal of clinical medicine, 10(16), . https://doi.org/10.3390/jcm10163700
Pavanello, Sofia, et al. "Longer Leukocytes Telomere Length Predicts a Significant Survival Advantage in the Elderly TRELONG Cohort, with Short Physical Performance Battery Score and Years of Education as Main Determinants for Telomere Elongation." Journal of clinical medicine vol. 10,16 (2021). doi: https://doi.org/10.3390/jcm10163700
Pavanello S, Campisi M, Grassi A, Mastrangelo G, Durante E, Veronesi A, Gallucci M. Longer Leukocytes Telomere Length Predicts a Significant Survival Advantage in the Elderly TRELONG Cohort, with Short Physical Performance Battery Score and Years of Education as Main Determinants for Telomere Elongation. J Clin Med. 2021 Aug 20;10(16). doi: 10.3390/jcm10163700. PMID: 34441997; PMCID: PMC8397185.
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Topoisomerase 1 activity during mitotic transcription favors the transition from mitosis to G1.

Molecular cell

Wiegard A, Kuzin V, Cameron DP, Grosser J, Ceribelli M, Mehmood R, Ballarino R, Valant F, Grochowski R, Karabogdan I, Crosetto N, Lindqvist A, Bizard AH, Kouzine F, Natsume T, Baranello L.
PMID: 34767771
Mol Cell. 2021 Dec 16;81(24):5007-5024.e9. doi: 10.1016/j.molcel.2021.10.015. Epub 2021 Nov 11.

As cells enter mitosis, chromatin compacts to facilitate chromosome segregation yet remains transcribed. Transcription supercoils DNA to levels that can impede further progression of RNA polymerase II (RNAPII) unless it is removed by DNA topoisomerase 1 (TOP1). Using ChIP-seq...

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Wiegard A, Kuzin V, Cameron DP, et al. Topoisomerase 1 activity during mitotic transcription favors the transition from mitosis to G1. Mol Cell. 2021;81(24):5007-5024.e9doi: 10.1016/j.molcel.2021.10.015.
Wiegard, A., Kuzin, V., Cameron, D. P., Grosser, J., Ceribelli, M., Mehmood, R., Ballarino, R., Valant, F., Grochowski, R., Karabogdan, I., Crosetto, N., Lindqvist, A., Bizard, A. H., Kouzine, F., Natsume, T., & Baranello, L. (2021). Topoisomerase 1 activity during mitotic transcription favors the transition from mitosis to G1. Molecular cell, 81(24), 5007-5024.e9. https://doi.org/10.1016/j.molcel.2021.10.015
Wiegard, Anika, et al. "Topoisomerase 1 activity during mitotic transcription favors the transition from mitosis to G1." Molecular cell vol. 81,24 (2021): 5007-5024.e9. doi: https://doi.org/10.1016/j.molcel.2021.10.015
Wiegard A, Kuzin V, Cameron DP, Grosser J, Ceribelli M, Mehmood R, Ballarino R, Valant F, Grochowski R, Karabogdan I, Crosetto N, Lindqvist A, Bizard AH, Kouzine F, Natsume T, Baranello L. Topoisomerase 1 activity during mitotic transcription favors the transition from mitosis to G1. Mol Cell. 2021 Dec 16;81(24):5007-5024.e9. doi: 10.1016/j.molcel.2021.10.015. Epub 2021 Nov 11. PMID: 34767771.
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Showing 133 to 143 of 143 entries