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Global Optimization of the Lennard-Jones Parameters for the Drude Polarizable Force Field.

Journal of chemical theory and computation

Rupakheti CR, MacKerell AD, Roux B.
PMID: 34609863
J Chem Theory Comput. 2021 Nov 09;17(11):7085-7095. doi: 10.1021/acs.jctc.1c00664. Epub 2021 Oct 05.

Molecular dynamics (MD) simulations based on atomic models play an important role in the drug-discovery process to screen molecules, estimate binding free energies, and optimize lead compounds in chemical space. Accurate computations of thermodynamic and kinetic properties using MD...

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Rupakheti CR, MacKerell AD, Roux B. Global Optimization of the Lennard-Jones Parameters for the Drude Polarizable Force Field. J Chem Theory Comput. 2021;17(11):7085-7095doi: 10.1021/acs.jctc.1c00664.
Rupakheti, C. R., MacKerell, A. D., & Roux, B. (2021). Global Optimization of the Lennard-Jones Parameters for the Drude Polarizable Force Field. Journal of chemical theory and computation, 17(11), 7085-7095. https://doi.org/10.1021/acs.jctc.1c00664
Rupakheti, Chetan R, et al. "Global Optimization of the Lennard-Jones Parameters for the Drude Polarizable Force Field." Journal of chemical theory and computation vol. 17,11 (2021): 7085-7095. doi: https://doi.org/10.1021/acs.jctc.1c00664
Rupakheti CR, MacKerell AD, Roux B. Global Optimization of the Lennard-Jones Parameters for the Drude Polarizable Force Field. J Chem Theory Comput. 2021 Nov 09;17(11):7085-7095. doi: 10.1021/acs.jctc.1c00664. Epub 2021 Oct 05. PMID: 34609863; PMCID: PMC8578466.
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The real Nemo movie: Description of embryonic development in Amphiprion ocellaris from first division to hatching.

Developmental dynamics : an official publication of the American Association of Anatomists

Salis P, Lee SH, Roux N, Lecchini D, Laudet V.
PMID: 33899313
Dev Dyn. 2021 Nov;250(11):1651-1667. doi: 10.1002/dvdy.354. Epub 2021 May 07.

BACKGROUND: Amphiprion ocellaris is one of the rare reef fish species that can be reared in aquaria. It is increasingly used as a model species for Eco-Evo-Devo. Therefore, it is important to have an embryonic development table based on...

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Salis P, Lee SH, Roux N, et al. The real Nemo movie: Description of embryonic development in Amphiprion ocellaris from first division to hatching. Dev Dyn. 2021;250(11):1651-1667doi: 10.1002/dvdy.354.
Salis, P., Lee, S. H., Roux, N., Lecchini, D., & Laudet, V. (2021). The real Nemo movie: Description of embryonic development in Amphiprion ocellaris from first division to hatching. Developmental dynamics : an official publication of the American Association of Anatomists, 250(11), 1651-1667. https://doi.org/10.1002/dvdy.354
Salis, Pauline, et al. "The real Nemo movie: Description of embryonic development in Amphiprion ocellaris from first division to hatching." Developmental dynamics : an official publication of the American Association of Anatomists vol. 250,11 (2021): 1651-1667. doi: https://doi.org/10.1002/dvdy.354
Salis P, Lee SH, Roux N, Lecchini D, Laudet V. The real Nemo movie: Description of embryonic development in Amphiprion ocellaris from first division to hatching. Dev Dyn. 2021 Nov;250(11):1651-1667. doi: 10.1002/dvdy.354. Epub 2021 May 07. PMID: 33899313; PMCID: PMC8597122.
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Airway complications in lung transplant recipients with telomere-related interstitial lung disease.

Clinical transplantation

Choi B, Messika J, Courtwright A, Mornex JF, Hirschi S, Roux A, Le Pavec J, Quêtant S, Froidure A, Lazor R, Reynaud-Gaubert M, Borgne AL, Houlbracq MP, Goldberg H, El-Chemaly S, Borie R.
PMID: 34856024
Clin Transplant. 2021 Dec 01;e14552. doi: 10.1111/ctr.14552. Epub 2021 Dec 01.

INTRODUCTION: Patients with short telomere-related interstitial lung disease (ILD) have worse outcomes after lung transplantation. We hypothesized that post-transplant airway complications, including dehiscence and bronchial stenosis, would be more common in the short telomere ILD lung transplant population.METHODS: We...

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Choi B, Messika J, Courtwright A, et al. Airway complications in lung transplant recipients with telomere-related interstitial lung disease. Clin Transplant. 2021;e14552doi: 10.1111/ctr.14552.
Choi, B., Messika, J., Courtwright, A., Mornex, J. F., Hirschi, S., Roux, A., Le Pavec, J., Quêtant, S., Froidure, A., Lazor, R., Reynaud-Gaubert, M., Borgne, A. L., Houlbracq, M. P., Goldberg, H., El-Chemaly, S., Borie, R. (2021). Airway complications in lung transplant recipients with telomere-related interstitial lung disease. Clinical transplantation, e14552. https://doi.org/10.1111/ctr.14552
Choi, Bina, et al. "Airway complications in lung transplant recipients with telomere-related interstitial lung disease." Clinical transplantation vol. (2021): e14552. doi: https://doi.org/10.1111/ctr.14552
Choi B, Messika J, Courtwright A, Mornex JF, Hirschi S, Roux A, Le Pavec J, Quêtant S, Froidure A, Lazor R, Reynaud-Gaubert M, Borgne AL, Houlbracq MP, Goldberg H, El-Chemaly S, Borie R. Airway complications in lung transplant recipients with telomere-related interstitial lung disease. Clin Transplant. 2021 Dec 01;e14552. doi: 10.1111/ctr.14552. Epub 2021 Dec 01. PMID: 34856024.
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Production of artificial fingermarks. Part I - Synthetic secretions formulation.

Forensic science international

Steiner R, Roux C, Moret S.
PMID: 34973483
Forensic Sci Int. 2021 Dec 23;331:111166. doi: 10.1016/j.forsciint.2021.111166. Epub 2021 Dec 23.

Fingermark variability is a critical parameter. To mitigate the effects of this variability, synthetic secretions in the form of simple mixtures of target compounds found in eccrine sweat have been described in the literature, but they are usually reactive...

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Steiner R, Roux C, Moret S. Production of artificial fingermarks. Part I - Synthetic secretions formulation. Forensic Sci Int. 2021;331:111166doi: 10.1016/j.forsciint.2021.111166.
Steiner, R., Roux, C., & Moret, S. (2021). Production of artificial fingermarks. Part I - Synthetic secretions formulation. Forensic science international, 331111166. https://doi.org/10.1016/j.forsciint.2021.111166
Steiner, Romain, et al. "Production of artificial fingermarks. Part I - Synthetic secretions formulation." Forensic science international vol. 331 (2021): 111166. doi: https://doi.org/10.1016/j.forsciint.2021.111166
Steiner R, Roux C, Moret S. Production of artificial fingermarks. Part I - Synthetic secretions formulation. Forensic Sci Int. 2021 Dec 23;331:111166. doi: 10.1016/j.forsciint.2021.111166. Epub 2021 Dec 23. PMID: 34973483.
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Bilateral Lipoadenoma of the Adrenal Glands and Humeral Brown Tumor: An Unusual Association.

Case reports in endocrinology

Messaoudi N, Bouichrat N, Karrou M, Assarrar I, Malki S, Elmahjoubi S, Rouf S, Karich N, Lachkar A, Sefiani S, Bouziane M, Kamaoui I, Latrech H.
PMID: 34484841
Case Rep Endocrinol. 2021 Aug 27;2021:4870493. doi: 10.1155/2021/4870493. eCollection 2021.

Adrenal adenolipomas are rare lipomatous adrenal tumors that can be either functional or not. Only 7 cases have been reported in the English literature so far. However, brown tumors are benign, rare, historical lesions, with histological similarity to giant...

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Messaoudi N, Bouichrat N, Karrou M, et al. Bilateral Lipoadenoma of the Adrenal Glands and Humeral Brown Tumor: An Unusual Association. Case Rep Endocrinol. 2021;2021:4870493doi: 10.1155/2021/4870493.
Messaoudi, N., Bouichrat, N., Karrou, M., Assarrar, I., Malki, S., Elmahjoubi, S., Rouf, S., Karich, N., Lachkar, A., Sefiani, S., Bouziane, M., Kamaoui, I., & Latrech, H. (2021). Bilateral Lipoadenoma of the Adrenal Glands and Humeral Brown Tumor: An Unusual Association. Case reports in endocrinology, 20214870493. https://doi.org/10.1155/2021/4870493
Messaoudi, N, et al. "Bilateral Lipoadenoma of the Adrenal Glands and Humeral Brown Tumor: An Unusual Association." Case reports in endocrinology vol. 2021 (2021): 4870493. doi: https://doi.org/10.1155/2021/4870493
Messaoudi N, Bouichrat N, Karrou M, Assarrar I, Malki S, Elmahjoubi S, Rouf S, Karich N, Lachkar A, Sefiani S, Bouziane M, Kamaoui I, Latrech H. Bilateral Lipoadenoma of the Adrenal Glands and Humeral Brown Tumor: An Unusual Association. Case Rep Endocrinol. 2021 Aug 27;2021:4870493. doi: 10.1155/2021/4870493. eCollection 2021. PMID: 34484841; PMCID: PMC8416393.
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Showing 1153 to 1157 of 1157 entries