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Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter.
Greff da Silveira L, Livotto PR, Padula D, Vilhena JG, Prampolini G. Greff da Silveira L, et al. J Chem Theory Comput. 2022 Nov 8;18(11):6905-6919. doi: 10.1021/acs.jctc.2c00747. Epub 2022 Oct 19. J Chem Theory Comput. 2022. PMID: 36260420
Conversely, quantum-mechanically derived force-fields (QMD-FFs), specifically tailored for the target system, were recently shown (J. Phys. Chem. Lett.2022,13, 243) to allow for the required accuracy as they not only well reproduced transition temperatures but also yielded …
Conversely, quantum-mechanically derived force-fields (QMD-FFs), specifically tailored for the target system, were recently shown (J. …
Assessing the Accuracy of Different Solvation Models To Describe Protein Adsorption.
Ortega M, Vilhena JG, Rubio-Pereda P, Serena PA, Pérez R. Ortega M, et al. J Chem Theory Comput. 2019 Apr 9;15(4):2548-2560. doi: 10.1021/acs.jctc.8b01060. Epub 2019 Mar 13. J Chem Theory Comput. 2019. PMID: 30822382
Here, we test the suitability of the two most popular implicit solvent methods based on the Generalized Born formalism to describe the adsorption process of the immunoglobulin G (IgG) on a hydrophobic graphene surface. Our results show that in both cases, IgG experiences a …
Here, we test the suitability of the two most popular implicit solvent methods based on the Generalized Born formalism to describe the adsor …
Oocyte quality of tambaqui (Colossoma macropomum) during the reproductive season.
Galo JM, Ribeiro RP, Streit-Junior DP, Albuquerque DM, Fornari DC, Roma CF, Guerreiro LR. Galo JM, et al. Braz J Biol. 2015 May;75(2):279-84. doi: 10.1590/1519-6984.10113. Braz J Biol. 2015. PMID: 26132008 Free article.

Female gametes were collected by stripping and the following analyses were performed: weight of oocytes released (g); productivity index, fertilization and hatching rate. During the sampling period was verified effect (p < 0.05) of collecting time into the season for oo

…
Female gametes were collected by stripping and the following analyses were performed: weight of oocytes released (g); productivity in …
A model for presenting accelerometer paradata in large studies: ISCOLE.
Tudor-Locke C, Mire EF, Dentro KN, Barreira TV, Schuna JM Jr, Zhao P, Tremblay MS, Standage M, Sarmiento OL, Onywera V, Olds T, Matsudo V, Maia J, Maher C, Lambert EV, Kurpad A, Kuriyan R, Hu G, Fogelholm M, Chaput JP, Church TS, Katzmarzyk PT; ISCOLE Research Group. Tudor-Locke C, et al. Int J Behav Nutr Phys Act. 2015 Apr 20;12:52. doi: 10.1186/s12966-015-0213-5. Int J Behav Nutr Phys Act. 2015. PMID: 25927615 Free PMC article. Clinical Trial.
Paradata included counts of consented and eligible participants, accelerometers distributed for initial and additional monitoring (site specific decisions in the face of initial monitoring failure), inadequate data (e.g., lost/malfunction, insufficient wear time), and aver …
Paradata included counts of consented and eligible participants, accelerometers distributed for initial and additional monitoring (site spec …
Ewing's sarcoma in children: twenty-five years of experience at the Instituto Portuges de Oncologia de Francisco Gentil (I.P.O.F.G.).
Patricio MB, Vilhena M, Neves M, Raposo S, Catita J, De Sousa V, Martins AG. Patricio MB, et al. J Surg Oncol. 1991 May;47(1):37-40. doi: 10.1002/jso.2930470109. J Surg Oncol. 1991. PMID: 1902537
Fifty children with Ewing's sarcoma were consecutively treated from 1962 to 1987 and retrospectively analyzed at the I.P.O.F.G. of Lisbon. At first diagnosis, 10 cases had distant metastases. ...
Fifty children with Ewing's sarcoma were consecutively treated from 1962 to 1987 and retrospectively analyzed at the I.P.O.F.G. of Li …
The EORTC randomized trial on three fractions per day and misonidazole (trial no. 22811) in advanced head and neck cancer: long-term results and side effects.
Van den Bogaert W, van der Schueren E, Horiot JC, De Vilhena M, Schraub S, Svoboda V, Arcangeli G, de Pauw M, Van Glabbeke M. Van den Bogaert W, et al. Radiother Oncol. 1995 May;35(2):91-9. doi: 10.1016/0167-8140(95)01538-r. Radiother Oncol. 1995. PMID: 7569030 Clinical Trial.
This schedule was compared to an identical arm with misonidazole 1 g/m2/day and a third arm with conventional fractionation (70 Gy in 35 fractions, 7 weeks or 75 Gy in 44 fractions, 9 weeks). ...Int. J. Radiat. Oncol. Biol. Phys. 12: 587-591, 1986) showed no differe …
This schedule was compared to an identical arm with misonidazole 1 g/m2/day and a third arm with conventional fractionation (70 Gy in …
Discussion of parameters associated with the ultrasonic solid-liquid extraction for elemental analysis (total content) by electrothermal atomic absorption spectrometry. An overview.
Capelo JL, Maduro C, Vilhena C. Capelo JL, et al. Ultrason Sonochem. 2005 Feb;12(3):225-32. doi: 10.1016/j.ultsonch.2003.10.010. Ultrason Sonochem. 2005. PMID: 15491886 Free article.
In the light of our own experience and a survey of published data, a general approach for USLE-ET-AAS is discussed, taking into account the different variables which affect ultrasonic solid-liquid extraction, namely, the ultrasonic device chosen for ultrasonic extraction (e.g …
In the light of our own experience and a survey of published data, a general approach for USLE-ET-AAS is discussed, taking into account the …
11 results