Results 21 to 30 of about 1,213,798 (272)
Molecular modeling to study dendrimers for biomedical applications [PDF]
, 2014 © 2014 by the authors; licensee MDPI; Basel; Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/4.0/).
Buhleier +15 more
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Nature Communications, 2019 Soft porous crystals hold big promise as functional nanoporous materials due to their stimuli responsive flexibility. Here, molecular dynamics simulations reveal a new type of spatial disorder in mesoscale crystals that helps to understand the size ...
Sven M. J. Rogge +2 more
doaj +1 more source
Chlorophylls - natural solar cells [PDF]
, 2011 A molecular modeling study was conducted on a series of six natural occurring chlorophylls. Quantum chemistry calculated orbital energies were used to estimate frequency of transitions between occupied molecular orbital and unoccupied molecular orbital ...
Balan, Mugur C. +3 more
core +3 more sources
Channel modeling for diffusive molecular communication - a tutorial review [PDF]
, 2019 Molecular communication (MC) is a new communication engineering paradigm where molecules are employed as information carriers. MC systems are expected to enable new revolutionary applications such as sensing of target substances in biotechnology, smart ...
Ahmadzadeh, Arman +4 more
core +1 more source
Bat coronaviruses related to SARS-CoV-2: what about their 3CL proteases (MPro)?
Journal of Enzyme Inhibition and Medicinal Chemistry, 2022 Despite a huge effort by the scientific community to determine the animal reservoir of SARS-CoV-2, which led to the identification of several SARS-CoV-2-related viruses both in bats and in pangolins, the origin of SARS-CoV-2 is still not clear. Recently,
Matteo Pavan +3 more
doaj +1 more source
Journal of Pharmacy And Bioallied Sciences, 2009 The use of computational chemistry in the development of novel pharmaceuticals is becoming an increasingly important tool. In the past, drugs were simply screened for effectiveness. The recent advances in computing power and the exponential growth of the knowledge of protein structures have made it possible for organic compounds to be tailored to ...
Aarti Sharma, Himanshu Gupta
openaire +2 more sources
Translational stem cell therapy: vascularized skin grafts in skin repair and regeneration
Journal of Translational Medicine, 2021 The skin is made up of a plethora of cells arranged in multiple layers with complex and intricate vascular networks, creating a dynamic microenvironment of cells-to-matrix interactions.
Qian Hua Phua +2 more
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Biomedicines, 2022 Adenosine receptors have been a promising class of targets for the development of new therapies for several diseases. In recent years, a renewed interest in this field has risen, thanks to the implementation of a novel class of agonists that lack the ...
Giovanni Bolcato +4 more
doaj +1 more source
Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles
Beilstein Journal of Nanotechnology, 2014 The geometric and electronic structure of the MIL-47(V) metal-organic framework (MOF) is investigated by using ab initio density functional theory (DFT) calculations.
Danny E. P. Vanpoucke +4 more
doaj +1 more source
Do we need to know the temperature in prestellar cores?
, 2007 Molecular line observations of starless (prestellar) cores combined with a chemical evolution modeling and radiative transfer calculations are a powerful tool to study the earliest stages of star formation. However, conclusions drawn from such a modeling
Henning, Th. +2 more
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