Search results for " Simulation"
showing 10 items of 4034 documents
Simulation of granular organic fertilizer application by centrifugal spreader
2021
There is no specialized equipment designed to spread granular cylindrical organic fertilizer in the soil. There are also no rational recommendations available on how to spread this type of fertilizer. Mineral fertilizer spreaders are most often used for spreading granulated organic fertilizer. However, these fertilizers are significantly different from mineral fertilizers. Due to these differences, organic granular fertilizers often are spread unevenly, and the fertilizer does not reach the required working width. Furthermore, the rate of spreading is not accurate, and the fertilizer is often crushed too much. The objective of this research is to develop a simulation model for granular orga…
A frozen analogue approach to aminopyridinylimidazoles leading to novel and promising p38 MAP kinase inhibitors.
2012
In this study we report the design, synthesis, and biological evaluation of constrained aminopyridinylimidazoles as p38α MAP kinase inhibitors. The frozen analogue approach focused on the pyridinyl unit, using purine bioisosteres as constrained structure analogues. The identification of the most potent bioisostere was followed by a further derivatization to address hydrophobic region II. In combination with C-2 modifications of the imidazole core, we were able to design highly active inhibitors on the p38α MAP kinase. The inhibitor design presented herein represents a promising and highly efficient advancement of recent stages of development in this class of p38 MAP kinase inhibitors. In co…
Theoretical studies of HIV-1 reverse transcriptase inhibition
2012
Computational methods for accurately calculating the binding affinity of a ligand for a protein play a pivotal role in rational drug design. We herein present a theoretical study of the binding of five different ligands to one of the proteins responsible for the human immunodeficiency virus type 1 (HIV-1) cycle replication; the HIV-1 reverse transcriptase (RT). Two types of approaches are used based on molecular dynamics (MD) simulations within hybrid QM/MM potentials: the alchemical free energy perturbation method, FEP, and the pathway method, in which the ligand is physically pulled away from the binding site, thus rendering a potential of mean force (PMF) for the binding process. Our com…
Conformational dynamics of full-length inducible human Hsp70 derived from microsecond molecular dynamics simulations in explicit solvent
2013
Human 70 kDa heat shock protein (hHsp70) is an ATP-dependent chaperone and is currently an important target for developing new drugs in cancer therapy. Knowledge of the conformations of hHsp70 is central to understand the interactions between its nucleotide-binding domain (NBD) and substrate-binding domain (SBD) and is a prerequisite to design inhibitors. The conformations of ADP-bound (or nucleotide-free) hHsp70 and ATP-bound hHsp70 was investigated by using unbiased all-atom molecular dynamics (MD) simulations of homology models of hHsp70 in explicit solvent on a timescale of .5 and 2.7 μs, respectively. The conformational heterogeneity of hHsp70 was analyzed by computing effective free-e…
Nonlinear Feedback Control and Stability Analysis of a Proof-of-Work Blockchain
2017
In this paper a novel feedback controller and stability analysis of a blockchain implementation is developed by using a control engineering perspective. The controller output equals the difficulty adjustment in the mining process while the feedback variable is the average block time over a certain time period. The computational power (hash rate) of the miners is considered a disturbance in the model. The developed controller is tested against a simulation model with constant disturbance, step and ramp responses as well as with a high-frequency sinusoidal disturbance. Stability and a fast response is demonstrated in all these cases with a controller which adjusts it's output at every new blo…
Comparison between two different cardiovascular models during a hemorrhagic shock scenario
2020
Hemorrhagic shock is a form of hypovolemic shock determined by rapid and large loss of intravascular blood volume and represents the first cause of death in the world, whether on the battlefield or in civilian traumatology. For this, the ability to prevent hemorrhagic shock remains one of the greatest challenges in the medical and engineering fields. The use of mathematical models of the cardiocirculatory system has improved the capacity, on one hand, to predict the risk of hemorrhagic shock and, on the other, to determine efficient treatment strategies. In this paper, a comparison between two mathematical models that simulate several hemorrhagic scenarios is presented. The models considere…
Janus Nanostructures from ABC/B Triblock Terpolymer Blends
2019
Lamella-forming ABC triblock terpolymers are convenient building blocks for the synthesis of soft Janus nanoparticles (JNPs) by crosslinking the B domain that is &ldquo
Determinants of the Effectiveness of Using Renewable Resource Management-Based Simulations in the Development of Critical Thinking: An Application of…
2019
The twenty-first century&rsquo
Anomaly‐based intrusion detection systems: The requirements, methods, measurements, and datasets
2021
International audience; With the Internet's unprecedented growth and nations' reliance on computer networks, new cyber‐attacks are created every day as means for achieving financial gain, imposing political agendas, and developing cyberwarfare arsenals. Network security is thus acquiring increasing attention among researchers, practitioners, network architects, policy makers, and others. To defend organizations' networks from existing, foreseen, and future threats, intrusion detection systems (IDSs) are becoming a must. Existing surveys on anomaly‐based IDS (AIDS) focus on specific components such as detection mechanisms and lack many others. In contrast to existing surveys, this article co…
Use of the software ‘Poser4’ in reconstruction of accident and crime scenes
2000
The reconstruction of accident and crime scenes demands the full attention of the forensic working physician. Description by words is often difficult and liable to be misunderstood. Reconstruction in the original places of events are expensive and in some cases impossible. Computer graphics and animations give the possibility to construct the original course of events. Poser4 is a software package to perform these reconstructions in an easy and vivid way. We investigated the possibilities of reconstructing an accident with this software.