Results 31 to 40 of about 236,648 (327)
In silico modelling of DNA nanostructures
Computational and Structural Biotechnology Journal, 2020 The rise of material science and nanotechnology created a demand for a next generation of materials and procedures that can transcend the shaping of simple geometrical nano-objects. As a legacy of the technological progress made in the Human Genome Project, DNA was identified as a possible candidate.
Kekic, Tadija, Barisic, Ivan
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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
doaj +1 more source
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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ACS Sustainable Chemistry and Engineering, 2019 Because of the increasing demand of greener solvents, deep eutectic solvents (DES) have just emerged as low-cost alternative solvents for a broad range of applications.
A. Halder, M. N. D. Cordeiro
semanticscholar +1 more source
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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In Silico Modeling of PROTAC-Mediated Ternary Complexes: Validation and Application
Journal of Chemical Information and Modeling, 2019 In this work, four methods are described and validated for generating in silico ensembles of PROTAC-mediated ternary complexes. Filters based on characteristics of the proposed ternary complexes are developed to identify those that resemble known crystal
M. Drummond, C. Williams
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Modeling Mechanical Ventilation In Silico-Potential and Pitfalls.
Seminars in Respiratory and Critical Care Medicine, 2022 Computer simulation offers a fresh approach to traditional medical research that is particularly well suited to investigating issues related to mechanical ventilation.
David M. Hannon +7 more
semanticscholar +1 more source
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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Simulating non-small cell lung cancer with a multiscale agent-based model [PDF]
, 2007 Background The epidermal growth factor receptor (EGFR) is frequently overexpressed in many cancers, including non-small cell lung cancer (NSCLC). In silcio modeling is considered to be an increasingly promising tool to add useful insights into the ...
Deisboeck, Thomas S. +3 more
core +5 more sources