scholarly journals Polarizable embedding QM/MM: the future gold standard for complex (bio)systems?

2020 ◽  
Vol 22 (26) ◽  
pp. 14433-14448 ◽  
Author(s):  
Mattia Bondanza ◽  
Michele Nottoli ◽  
Lorenzo Cupellini ◽  
Filippo Lipparini ◽  
Benedetta Mennucci

We provide a perspective of the induced dipole formulation of polarizable QM/MM, showing how efficient implementations will enable their application to the modeling of dynamics, spectroscopy, and reactivity in complex biosystems.

2018 ◽  
Vol 164 (5) ◽  
pp. 358-359 ◽  
Author(s):  
Ojas Pujji ◽  
S L A Jeffery

Burn excision is the gold standard treatment for full thickness and some deep partial thickness burns. Early burn excision (24–96 hours) has been shown to improve patient outcomes. However, in the military setting, transporting the patient to a centre which can provide this procedure can be delayed. Especially as control of airspace in the future may be hampered due to the political landscape. For this reason, focus on how to achieve safer burn excision prior to repatriation should be addressed. This paper considers the barriers to early burn excision in the military setting and offers potential solutions for the future.


2018 ◽  
Vol 30 (6) ◽  
pp. 867 ◽  
Author(s):  
M. T. Gallagher ◽  
D. J. Smith ◽  
J. C. Kirkman-Brown

The human semen sample carries a wealth of information of varying degrees of accessibility ranging from the traditional visual measures of count and motility to those that need a more computational approach, such as tracking the flagellar waveform. Although computer-aided sperm analysis (CASA) options are becoming more widespread, the gold standard for clinical semen analysis requires trained laboratory staff. In this review we characterise the key attitudes towards the use of CASA and set out areas in which CASA should, and should not, be used and improved. We provide an overview of the current CASA landscape, discussing clinical uses as well as potential areas for the clinical translation of existing research technologies. Finally, we discuss where we see potential for the future of CASA, and how the integration of mathematical modelling and new technologies, such as automated flagellar tracking, may open new doors in clinical semen analysis.


1999 ◽  
Vol 29 (9) ◽  
pp. 694-701 ◽  
Author(s):  
A. Borthne ◽  
Tore Nordshus ◽  
Tor Reiseter ◽  
Jonn Terje Geitung ◽  
Kjell Inge Gjesdal ◽  
...  

1938 ◽  
Vol 16 (1) ◽  
pp. 123-168
Author(s):  
William Gilbert Craig

SynopsisThe standard on which the currency of this country is based is of importance to actuaries on account of (a) its bearing on the future real value of the currency in which life assurance contracts are made, and (b) its influence on the relative values of various currencies as affecting investment policy.The advantages of the gold standard and the assumptions underlying it are examined, and it is shown how the validity of these assumptions has been undermined by the gradual development of various factors. It is suggested that there is little ground for anticipating that the presence of these disturbing factors will be temporary.The present monetary position and the greatly changed position as regards the world's gold supplies both in amount and value are discussed and the case for the readoption of the gold standard is outlined. Two types of modified gold standard, (a) a partial gold standard, and (b) a managed gold standard, are considered.The difficulties of a managed standard and the limitations of a common standard are reviewed and several conclusions reached.


2019 ◽  
Vol 15 (8) ◽  
pp. 4485-4496 ◽  
Author(s):  
Sijin Ren ◽  
Filippo Lipparini ◽  
Benedetta Mennucci ◽  
Marco Caricato

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