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961por Li, Pengfei, Liu, Fengjiao, Jia, Xiangyu, Shao, Yihan, Hu, Wenxin, Zheng, Jun, Mei, Ye“…For Diels–Alder (DA) reactions in solution, an accurate and converged free energy (FE) surface at ab initio (ai) quantum mechanical/molecular mechanical (QM/MM) level is imperative for the understanding of reaction mechanism. …”
Publicado 2018
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962por König, Gerhard, Pickard, Frank C., Huang, Jing, Thiel, Walter, MacKerell, Alexander D., Brooks, Bernard R., York, Darrin M.“…In all cases, the resulting QM/MM hydration free energies were inferior to purely classical results, with the QM/MM Drude force field predictions being only marginally better than the QM/MM fixed charge results. …”
Publicado 2018
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963por Tsuji, Shigetsugu, Takeda, Yasuhito, Tsuji, Kunihiro, Yoshida, Naohiro, Takemura, Kenichi, Yamada, Shinya, Doyama, Hisashi“…Patients and methods The clinical records were reviewed from 501 consecutive patients who underwent the “resect and discard” strategy for colorectal polyps smaller than 10 mm at our hospital between January 2008 and December 2010. …”
Publicado 2018
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964por Vázquez-Montelongo, Erik Antonio, Vázquez-Cervantes, José Enrique, Cisneros, G. AndrésEnlace del recurso
Publicado 2018
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965por Lyu, Yi-jun, Shen, Fang, Yan, Yun, Situ, Ming-zhu, Wu, Wei-zhu, Jiang, Guo-qiang, Chen, Ya-ya“…PATIENTS AND METHODS: Eight hundred twenty-two thyroid nodules (Group A: diameter ≤10 mm, n=620; Group B: diameter >10 mm, n=202) from 797 patients treated between March 2014 and June 2017 were retrospectively evaluated. …”
Publicado 2019
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966por Raju, Gottumukkala, Lum, Phillip, Ross, William, Thirumurthi, Selvi, Miller, Ethan, Lynch, Patrick, Lee, Jeffrey, Bhutani, Manoop S., Shafi, Mehnaz A., Weston, Brian, Blechacz, Boris, Chang, George J, Hagan, Katherine, Rashid, Asif, Davila, Marta, Stroehlein, John“…Patients and methods Two hundred and eighty-nine consecutive patients with biopsy-proven non-malignant colon polyps (> 20 mm) referred for EMR were analyzed to identify practices that could be improved from the time of identifying the lesion at index colonoscopy until completion of therapy. …”
Publicado 2019
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967“…If the size of the stone is <5 mm, it may be difficult to diagnose. This study aimed to compare the accuracy of twinkling artifact (TA) of color Doppler US imaging with unenhanced computed tomography (CT) for detecting urolithiasis <5 mm. …”
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968“…The QM(SCC-DFTB)/MM free energy maxima show the inverted situation, although the hydrolysis TS presents significant structural fluctuations. …”
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970“…Recent advances in pulsed dye laser technology enable output energies 50% higher, enabling beam diameters of up to 15 mm with clinically relevant fluences. In this study, we investigate this new laser for treatment of this condition. …”
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971por Weng, Gaoqi, Wang, Ercheng, Wang, Zhe, Liu, Hui, Zhu, Feng, Li, Dan, Hou, Tingjun“…In the HawkDock server, the ATTRACT docking algorithm, the HawkRank scoring function developed in our group and the MM/GBSA free energy decomposition analysis were seamlessly integrated into a multi-functional platform. …”
Publicado 2019
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972por Pagliai, Marco, Mancini, Giordano, Carnimeo, Ivan, De Mitri, Nicola, Barone, Vincenzo“…The computational protocol consists in studying the solute solvation with accurate molecular dynamics simulations, characterizing the hydrogen bond interactions, and calculating electronic transitions for a series of configurations extracted from the molecular dynamics trajectories with a polarizable QM/MM scheme based on the fluctuating charge model. …”
Publicado 2016
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973“…Introduction: This study explores the feasibility of SRS/SRT treatment with MLC leaves wider than 2.5 mm at isocenter by inter-comparing treatment plans produced with 2.5, 5.0, and 10.0 mm leaves for various target sizes and shapes. …”
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974por Rifai, Eko Aditya, van Dijk, Marc, Vermeulen, Nico P. E., Yanuar, Arry, Geerke, Daan P.“…Compared with the standard single-trajectory setup of MM/PBSA, our study elucidates that LIE allows to obtain direct (“absolute”) values for SIRT1 binding free energies with lower compute requirements, while the accuracy in calculating relative values for ΔG(bind) is comparable (Pearson’s r = 0.72 and 0.64 for LIE and MM/PBSA, respectively). …”
Publicado 2019
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975“…Pararhodobacter-like strain CCB-MM2 is a halophilic alphaproteobacterium isolated from estuarine sediment collected from Matang Mangrove Forest in Malaysia. …”
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976por DEGIOVANI, Matheus, RIBAS, Carmem Australia Paredes Marcondes, CZECZKO, Nicolau Gregori, PARADA, Artur Adolfo, FRONCHETTI, Juliana de Andrade, MALAFAIA, Osvaldo“…AIM: To analyze the impact of HP in the gastric mucosa with intestinal metaplasia in the distal esophagus in areas of columnar epithelialization smaller than 10 mm in length and epidemiological data on prevalence METHOD: A retrospective study in which were included 373 consecutive patients diagnosed with columnar epithelium in the distal esophagus was done. …”
Publicado 2019
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977por Huang, Yuejiao, Huang, Xianting, Cheng, Chun, Xu, Xiaohong, Liu, Hong, Yang, Xiaojing, Yao, Li, Ding, Zongmei, Tang, Jie, He, Song, Wang, Yuchan“…METHODS: Development of an adhesion model of established MM cell lines and detection of Numbl and Integrinβ1 expression by Western Blot analysis. …”
Publicado 2019
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978“…Fluorescence and lasing emission that are produced separately in time during excitation laser pulse for an mm-sized Rhodamine 6G dye-water droplet are reported. …”
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979por Wykowski, James, Galagan, Sean R., Govere, Sabina, Wallis, Carole L., Moosa, Mahomed-Yunus, Celum, Connie, Drain, Paul K.“…The median CD4 was 317 cells/mm(3) (interquartile range: 173–491 cells/mm(3)). …”
Publicado 2020
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980por Aiello, Marina, Fantin, Alberto, Longo, Chiara, Ferrarotti, Ilaria, Bertorelli, Giuseppina, Chetta, Alfredo“…We focused on the M‐like heterozygous variant of the SERPINA1 gene called PI*MM(Malton), and describe three patients with this variant. …”
Publicado 2020
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