Results 271 to 280 of about 423,064 (316)
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In Silico and Ex Silico ADME Approaches for Drug Discovery
Current Topics in Medicinal Chemistry, 2002The high attrition rate of drug candidates during clinical trials for poor pharmacokinetic and metabolic properties has created a need to do these studies as early as it is possible during the drug discovery process. In addition the most successful drug is often not the most potent one but the one that has the suitable level of potency, safety, and ...
Ferenc, Darvas +5 more
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Combinatorial Chemistry & High Throughput Screening, 2002
NMR-based screening and virtual, or in silico, screening can be highly complementary and synergistic. NMR-based screening is a rapid and reliable method for validating hits that come from in silico screens. In addition, ligand-binding data derived from NMR-based screens can focus and direct subsequent in silico screening.
Simon, Rüdisser, Wolfgang, Jahnke
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NMR-based screening and virtual, or in silico, screening can be highly complementary and synergistic. NMR-based screening is a rapid and reliable method for validating hits that come from in silico screens. In addition, ligand-binding data derived from NMR-based screens can focus and direct subsequent in silico screening.
Simon, Rüdisser, Wolfgang, Jahnke
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2005
We introduce biomimetic in silico devices, and means for validation along with methods for testing and refining them. The devices are constructed from adaptable software components designed to map logically to biological components at multiple levels of resolution.
C. Anthony Hunt +3 more
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We introduce biomimetic in silico devices, and means for validation along with methods for testing and refining them. The devices are constructed from adaptable software components designed to map logically to biological components at multiple levels of resolution.
C. Anthony Hunt +3 more
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Evolving oscillators in silico
IEEE Transactions on Evolutionary Computation, 1999We use evolutionary search to automatically find electronic circuits that oscillate, i.e., that periodically toggle an output line from low to high. Reconfigurable hardware in the form of field programable gate arrays (FPGA's)-as opposed to circuit simulation-computes a circuit's fitness which guides the evolutionary search.
Lorenz Huelsbergen +2 more
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In silico antitarget screening
Drug Discovery Today: Technologies, 2004The need to early predict the possible failure of a drug candidate is becoming an absolute requirement in the drug discovery process. For this reason, from the initial phases of lead development, great attention is paid to the ADMET characteristics of the compounds.
RECANATINI, MAURIZIO +2 more
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In Silico Models for Hepatotoxicity
2022In this chapter, we review the state of the art of predicting human hepatotoxicity using in silico techniques. There has been significant progress in this area over the past 20 years but there are still some challenges ahead. Principally, these challenges are our partial understanding of a very complex biochemical system and our ability to emulate that
Claire, Ellison +2 more
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2011
In silico PCR analysis is a useful and efficient complementary method to ensure primer specificity for an extensive range of PCR applications from gene discovery, molecular diagnosis, and pathogen detection to forensic DNA typing. In silico PCR, SNPCheck, and Primer-BLAST are commonly used web-based in silico PCR tools. Their applications are discussed
Bing, Yu, Changbin, Zhang
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In silico PCR analysis is a useful and efficient complementary method to ensure primer specificity for an extensive range of PCR applications from gene discovery, molecular diagnosis, and pathogen detection to forensic DNA typing. In silico PCR, SNPCheck, and Primer-BLAST are commonly used web-based in silico PCR tools. Their applications are discussed
Bing, Yu, Changbin, Zhang
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Photosynthesis Research, 2006
A computer model comprising light reactions, electron-proton transport, enzymatic reactions, and regulatory functions of C3 photosynthesis has been developed as a system of differential budget equations for intermediate compounds. The emphasis is on electron transport through PSII and PSI and on the modeling of Chl fluorescence and 810 nm absorptance ...
Agu, Laisk +2 more
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A computer model comprising light reactions, electron-proton transport, enzymatic reactions, and regulatory functions of C3 photosynthesis has been developed as a system of differential budget equations for intermediate compounds. The emphasis is on electron transport through PSII and PSI and on the modeling of Chl fluorescence and 810 nm absorptance ...
Agu, Laisk +2 more
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Advanced Drug Delivery Reviews, 2003
The incidence of asthma is increasing throughout the world, especially among children, to the extent that it has become a medical issue of serious global concern. Appropriately, numerous pharmacologic drugs and clinical protocols for the treatment and prophylaxis of the disease have been reported.
Martonen, Ted +4 more
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The incidence of asthma is increasing throughout the world, especially among children, to the extent that it has become a medical issue of serious global concern. Appropriately, numerous pharmacologic drugs and clinical protocols for the treatment and prophylaxis of the disease have been reported.
Martonen, Ted +4 more
openaire +3 more sources
ACS Nano, 2014
Innovations in computational nanoscience have traditionally come in conjunction with experimental innovations, but uncertainty often surrounds the trustworthiness of in silico studies. While the accuracy of simulations has been improving every year, considerably less attention has focused on dealing with increasing complexity, which may be the source ...
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Innovations in computational nanoscience have traditionally come in conjunction with experimental innovations, but uncertainty often surrounds the trustworthiness of in silico studies. While the accuracy of simulations has been improving every year, considerably less attention has focused on dealing with increasing complexity, which may be the source ...
openaire +2 more sources