Results 21 to 30 of about 165,849 (202)
Molecules, 2022 Molecular modeling approaches are used in a versatile way to investigate the properties of diverse organic and inorganic structures such as proteins, biomolecules, nanomaterials, functionalized nanoparticles, and membranes. However, more detailed studies
Jorddy Neves Cruz +3 more
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Agent-based modeling: a systematic assessment of use cases and requirements for enhancing pharmaceutical research and development productivity. [PDF]
, 2013 A crisis continues to brew within the pharmaceutical research and development (R&D) enterprise: productivity continues declining as costs rise, despite ongoing, often dramatic scientific and technical advances. To reverse this trend, we offer various
Hunt, C. Anthony +4 more
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High Accuracy in Silico Sulfotransferase Models [PDF]
Journal of Biological Chemistry, 2013 Predicting enzymatic behavior in silico is an integral part of our efforts to understand biology. Hundreds of millions of compounds lie in targeted in silico libraries waiting for their metabolic potential to be discovered. In silico "enzymes" capable of accurately determining whether compounds can inhibit or react is often the missing piece in this ...
Ian, Cook +3 more
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Ethics in autonomous robots as philosophy in silico: The study case of phronetic machine ethics
Logos i Ethos, 2020 The paper explores the application of computing science to the modeling of the ethical concepts. The modeling in computers is denoted as in silico modeling.
Paweł Polak, Roman Krzanowski
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Therapeutic target discovery using Boolean network attractors: avoiding pathological phenotypes [PDF]
, 2014 Target identification, one of the steps of drug discovery, aims at identifying biomolecules whose function should be therapeutically altered in order to cure the considered pathology.
Boissel, Jean-Pierre, Poret, Arnaud
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In silico modeling in infectious disease
Drug Discovery Today: Disease Models, 2007 Infectious disease has witnessed the emergence of mathematical modeling a tool of synthesizing data of growing complexity now available to clinicians and basic scientists alike. The purpose of this review is to introduce mathematical tools commonly used to model infectious disease.
Daun, Silvia, Clermont, Gilles
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In Silico Models for Drug Resistance [PDF]
, 2013 Resistance to drugs that treat infectious disease is a major problem worldwide. The rapid emergence of drug resistance is not well understood. We present two in silico models for the discovery of drug resistance mechanisms and for combating the evolution of resistance, respectively.
Fatumo, S. +2 more
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In silico models of cancer [PDF]
WIREs Systems Biology and Medicine, 2010 AbstractCancer is a complex disease that involves multiple types of biological interactions across diverse physical, temporal, and biological scales. This complexity presents substantial challenges for the characterization of cancer biology, and motivates the study of cancer in the context of molecular, cellular, and physiological systems ...
Lucas B, Edelman +2 more
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Genome-driven evolutionary game theory helps understand the rise of metabolic interdependencies in microbial communities [PDF]
, 2017 Metabolite exchanges in microbial communities give rise to ecological interactions that govern ecosystem diversity and stability. It is unclear, however, how the rise of these interactions varies across metabolites and organisms.
Segre, Daniel, Zomorrodi, Ali R.
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In-Silico Trials for Treatment of Acute Ischemic Stroke
Frontiers in Neurology, 2020 Despite improved treatment, a large portion of patients with acute ischemic stroke due to a large vessel occlusion have poor functional outcome. Further research exploring novel treatments and better patient selection has therefore been initiated.
Praneeta R. Konduri +7 more
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