Insights into the role of cyclic ladderane lipids in bacteria from computer simulations

2014 ◽  
Vol 181 ◽  
pp. 76-82 ◽  
Author(s):  
Vitaly V. Chaban ◽  
Morten B. Nielsen ◽  
Wojciech Kopec ◽  
Himanshu Khandelia
Keyword(s):  
Computer Simulations ◽  
Ladderane Lipids

The evolving role of animal laboratories in physiology instruction

2005 ◽  
Vol 29 (3) ◽  
pp. 144-150 ◽  
Author(s):  
Alice W. Ra'anan
Keyword(s):  
Medical Education ◽  
Active Learning ◽  
Computer Simulations ◽  
Contributing Factors ◽  
Educational Impact

Laboratory exercises are intended to illustrate concepts and add an active learning component to courses. Since the 1980s, there has been a decline in animal laboratories offered in conjunction with medical physiology courses. The most important single reason for this is cost, but other contributing factors include the development of computer simulations, changes in medical education, and pressure from antivivisectionists. Unfortunately, the elimination of animal laboratories has occurred with relatively little consideration of the educational impact of this change. Although computer simulations are considered effective in helping students acquire basic physiological concepts, there is evidence some students acquire a more thorough understanding of the material through the more advanced and challenging experience of an animal laboratory. The fact that such laboratories offer distinct educational advantages should be taken into account when courses are designed.

Self-assembly of conformationally flexible molecules under 2D confinement: structural analysis from computer simulations

2018 ◽  
Vol 54 (63) ◽  
pp. 8749-8752 ◽  
Author(s):  
Damian Nieckarz ◽  
Paweł Szabelski
Keyword(s):  
Monte Carlo ◽  
Structural Analysis ◽  
Monte Carlo Simulations ◽  
Computer Simulations ◽  
Self Assembly ◽  
Flexible Molecules

Monte Carlo simulations reveal the role of surface conformers in self-assembly on crystalline supports.

scholarly journals Towards the realistic computer model of precipitation polymerization microgels

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Vladimir Yu. Rudyak ◽  
Elena Yu. Kozhunova ◽  
Alexander V. Chertovich
Keyword(s):  
Computer Simulations ◽  
Precipitation Polymerization ◽  
Coarse Grained ◽  
Polymerization Process ◽  
New Horizons ◽  
Experimental Systems ◽  
Structure Factors ◽  
The Subject ◽  
First Time

Abstract In this paper we propose a new method of coarse-grained computer simulations of the microgel formation in course of free radical precipitation polymerization. For the first time, we simulate the precipitation polymerization process from a dilute solution of initial components to a final microgel particle with coarse grained molecular dynamics, and compare it to the experimental data. We expect that our simulation studies of PNIPA-like microgels will be able to elucidate the subject of nucleation and growth kinetics and to describe in detail the network topology and structure. Performed computer simulations help to determine the characteristic phases of the growth process and show the necessity of prolongated synthesis for the formation of stable microgel particles. We demonstrate the important role of dangling ends in microgels, which occupy as much as 50% of its molecular mass and have previously unattended influence on the swelling behavior. The verification of the model is made by the comparison of collapse curves and structure factors between simulated and experimental systems, and high quality matching is achieved. This work could help to open new horizons in studies that require the knowledge of detailed and realistic structures of the microgel networks.

Simulations in Entrepreneurship Education: Serious Games and Learning Through Play

2018 ◽  
Vol 1 (1) ◽  
pp. 61-89 ◽  
Author(s):  
Joe Fox ◽  
Luke Pittaway ◽  
Ikenna Uzuegbunam
Keyword(s):  
Literature Review ◽  
Computer Simulations ◽  
Serious Games ◽  
Educational Practice ◽  
Entrepreneurship Education ◽  
Future Research ◽  
Entrepreneurial Learning ◽  
Education Literature ◽  
Learning Through Play

Entrepreneurship education continues to grow and develop worldwide. This article seeks to expand knowledge and understanding of educational practice in entrepreneurship by focusing on serious games, specifically computer simulations which model entrepreneurship. This paper begins by reviewing the entrepreneurship education literature to consider the role of simulations, explores the nature of serious games, and assesses the role of such games in simulating entrepreneurial learning. This research uses systematic literature review techniques to collect data on serious games, analyzes these games and provides five detailed case studies on the games. The paper concludes with a discussion of what serious games currently simulate in entrepreneurial learning, and directions for future research.

Molecular dynamics study on the role of solvation water in the adsorption of hyperactive AFP to the ice surface

2018 ◽  
Vol 20 (39) ◽  
pp. 25365-25376 ◽  
Author(s):  
Joanna Grabowska ◽  
Anna Kuffel ◽  
Jan Zielkiewicz
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulations ◽  
Early Stages ◽  
Ice Surface

Using computer simulations, the early stages of the adsorption of the CfAFP molecule to the ice surface were analyzed.

Computer simulations of gold nanowire formation: the role of outlayer atoms

2005 ◽  
Vol 81 (8) ◽  
pp. 1527-1531 ◽  
Author(s):  
F. Sato ◽  
A.S. Moreira ◽  
P.Z. Coura ◽  
S.O. Dantas ◽  
S.B. Legoas ◽  
...  
Keyword(s):  
Computer Simulations ◽  
Gold Nanowire

Space Physics: The role of computer simulations

1987 ◽  
Vol 38 (3) ◽  
pp. 97-97
Author(s):  
L J C Woolliscroft ◽  
P J Christiansen
Keyword(s):  
Computer Simulations ◽  
Space Physics

The Role of Computer Simulations in Science and the Academy

2018 ◽  
Vol 2018 (1) ◽  
pp. 18525
Author(s):  
Jerker C. Denrell ◽  
Jonathan Ozik ◽  
Hazhir Rahmandad ◽  
Edward Bishop Smith
Keyword(s):  
Computer Simulations

scholarly journals Hyperpolarization-Activated Current, , in Mathematical Models of Rabbit Sinoatrial Node Pacemaker Cells

2013 ◽  
Vol 2013 ◽  
pp. 1-18 ◽  
Author(s):  
Arie O. Verkerk ◽  
Ronald Wilders
Keyword(s):  
Experimental Data ◽  
Computer Simulations ◽  
Rate Control ◽  
Ionic Current ◽  
Typical Feature ◽  
Pacemaker Activity ◽  
Pacemaker Cells ◽  
Personal View ◽  
Hyperpolarization Activated Current

A typical feature of sinoatrial (SA) node pacemaker cells is the presence of an ionic current that activates upon hyperpolarization. The role of this hyperpolarization-activated current, , which is also known as the “funny current” or “pacemaker current,” in the spontaneous pacemaker activity of SA nodal cells remains a matter of intense debate. Whereas some conclude that plays a fundamental role in the generation of pacemaker activity and its rate control, others conclude that the role of is limited to a modest contribution to rate control. The ongoing debate is often accompanied with arguments from computer simulations, either to support one's personal view or to invalidate that of the antagonist. In the present paper, we review the various mathematical descriptions of that have been used in computer simulations and compare their strikingly different characteristics with our experimental data. We identify caveats and propose a novel model for based on our experimental data.

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