The Role of p38 MAPK in Rheumatic Diseases

Mavropoulos, Αthanasios; Κουτσουμπασ, Ανδρεασ; Bogdanos, Dimitrios P.

doi:10.18281/iti.2015.2.2

Cited by 1 publication

(3 citation statements)

References 98 publications

(110 reference statements)

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“…The choice of 1990 as fixed point coincides with the publication of the review of Jones and Gunnarsson (1989), the book of Parr and Yang (1989), and an article (Jones, 1991) advocating DF calculations for molecules, particularly when combined with molecular dynamics (MD) (Car and Parrinello, 1985). Figure 1 (Mavropoulos, 2015) shows that it also marks the dramatic increase in the number of publications on the topics "density functional" and density functional theory "(DFT)" in recent years. 2 The relatively small number of publications before 1990…”

mentioning

confidence: 79%

“…The number of publications depends on the precise search criteria, but the overall picture is unchanged. From Mavropoulos, 2015. where each ψ i ðr i Þ satisfies a one-electron Schrödinger equation with a potential term arising from the average field of the other electrons. Equation (1) is often termed the "Hartree approximation," but it is not mentioned in either paper of Hartree cited previously.…”

Section: The Density As a Basic Variablementioning

confidence: 99%

“…The number of publications in a year that combine DF calculations with molecular dynamics 37 has grown nearly linearly from almost zero in 1990 to over 2000 in 2014 (Mavropoulos, 2015). Many applications now use Born-Oppenheimer molecular dynamics (Barnett and Landman, 1993), which allow substantially longer time steps in the simulations.…”

Section: A Progress and Problemsmentioning

confidence: 99%

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Density functional theory: Its origins, rise to prominence, and future

2015

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In little more than 20 years, the number of applications of the density functional (DF) formalism in chemistry and materials science has grown in an astonishing fashion. The number of publications alone shows that DF calculations make up a huge success story, and many younger colleagues are surprised to learn that the widespread application of density functional methods, particularly in chemistry, began only after 1990. This is indeed unexpected, because the origins are usually traced to the papers of Hohenberg, Kohn, and Sham more than a quarter of a century earlier. The DF formalism, its applications, and prospects were reviewed for this journal in 1989. About the same time, the combination of DF calculations with molecular dynamics promised to provide an efficient way to study structures and reactions in molecules and extended systems. This paper reviews the development of density-related methods back to the early years of quantum mechanics and follows the breakthrough in their application after 1990. The two examples from biochemistry and materials science are among the many current applications that were simply far beyond expectations in 1990. The reasons why-50 years after its modern formulation and after two decades of rapid expansionsome of the most cited practitioners in the field are concerned about its future are discussed.

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mentioning

confidence: 79%

Section: The Density As a Basic Variablementioning

confidence: 99%