scholarly journals Polarizable simulations with second order interaction model (POSSIM) force field: Developing parameters for protein side-chain analogues

2013 ◽  
Vol 34 (14) ◽  
pp. 1241-1250 ◽  
Author(s):  
Xinbi Li ◽  
Sergei Y. Ponomarev ◽  
Qina Sa ◽  
Daniel L. Sigalovsky ◽  
George A. Kaminski
2015 ◽  
Vol 8 (5) ◽  
pp. 391-396 ◽  
Author(s):  
Chen Juhui ◽  
Yu Guangbin ◽  
Li Jiuru ◽  
Gao Dejun ◽  
Liu Di ◽  
...  

1995 ◽  
Vol 7 (6) ◽  
pp. 1237-1242 ◽  
Author(s):  
Chanfeng Zhao ◽  
Chi-Kyun Park ◽  
Paras N. Prasad ◽  
Yue Zhang ◽  
Saswati Ghosal ◽  
...  

2006 ◽  
Vol 2 (6) ◽  
pp. 443-444 ◽  
Author(s):  
Jian-xun Hong ◽  
Jian-ping Chen ◽  
Xin-wan Li ◽  
Wei Chen ◽  
Tao Xie

2020 ◽  
Vol 11 ◽  
pp. 204062232094906
Author(s):  
Cheng-Hong Yang ◽  
Sin-Hua Moi ◽  
Li-Yeh Chuang ◽  
Jin-Bor Chen

Background and Aims: In Taiwan, approximately 90% of patients with end-stage renal disease receive maintenance hemodialysis. Although studies have reported the survival predictability of multiclinical factors, the higher-order interactions among these factors have rarely been discussed. Conventional statistical approaches such as regression analysis are inadequate for detecting higher-order interactions. Therefore, this study integrated receiver operating characteristic, logistic regression, and balancing functions for adjusting the ratio in risk classes and classification errors for imbalanced cases and controls using multifactor-dimensionality reduction (MDR-ER) analyses to examine the impact of interaction effects between multiclinical factors on overall mortality in patients on maintenance hemodialysis. Meterials and Methods: In total, 781 patients who received outpatient hemodialysis dialysis three times per week before 1 January 2009 were included; their baseline clinical factor and mortality outcome data were retrospectively collected using an approved data protocol (201800595B0). Results: Consistent with conventional statistical approaches, the higher-order interaction model could indicate the impact of potential risk combination unique to patients on maintenance hemodialysis on the survival outcome, as described previously. Moreover, the MDR-based higher-order interaction model facilitated higher-order interaction effect detection among multiclinical factors and could determine more detailed mortality risk characteristics combinations. Conclusion: Therefore, higher-order clinical risk interaction analysis is a reasonable strategy for detecting non-traditional risk factor interaction effects on survival outcome unique to patients on maintenance hemodialysis and thus clinically achieving whole-scale patient care.


2018 ◽  
Vol 382 ◽  
pp. 80-85 ◽  
Author(s):  
Xin Su ◽  
Shu Qiang Guo ◽  
Meng Ran Qiao ◽  
Hong Yan Zheng ◽  
Li Bin Qin

Based on the predecessors of thermodynamic data, the relationship between aluminum contents and oxygen contents of the aluminum deoxidization reaction was calculated. And the influence of activity coefficient to the reaction equilibrium in bearing-steel is analyzed. First-order and second-order interaction coefficients were used to calculate and draw the equilibrium curves, respectively. The effects of different temperature and different interaction parameters on the deoxidization equilibrium curves were studied. And through the curve the influence of the change of aluminum contents to the activity can be known. The trend of the curve with first-order interaction parameters is consistent with the curve with first-order and second-order interaction parameters at the low Al concentration region. And the oxygen contents of curve with first-order interaction parameters are higher than the other curve at the high Al concentration region


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