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How can computational methods be used to design and predict the properties of supramolecular assemblies formed by organic molecules?

asked Feb 6 in Computational Chemistry by DwainCarlisl (2.0k points)

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How can computational chemistry be used to predict the binding affinity and selectivity of small molecule inhibitors targeting the interaction between two specific proteins? Compare and contrast the accuracy and limitations of various molecular docking methods in predicting the binding modes and energies of protein-protein interaction inhibitors.

asked Feb 6 in Computational Chemistry by ChiKellett4 (1.5k points)

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How can college chemistry courses be better designed to prepare students for chemistry-related careers, such as analytical chemistry or materials science, in order to reduce the skills gap between academic training and industry expectations?

asked Feb 6 in Chemical education by DonnellBeckh (2.3k points)

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How can drug design strategies be used to target specific metabolic pathways involved in metabolic disorders such as diabetes or obesity?

asked Feb 6 in Medicinal Chemistry by BarrettGriff (2.0k points)

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How can Computational chemistry and molecular modeling be used to predict the properties of a new drug candidate?

asked Feb 6 in Physical Chemistry by MelbaTulloch (2.2k points)

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How can computational chemistry and molecular docking studies be applied to identify potential drug candidates for the treatment of cancer?

asked Feb 6 in Computational Chemistry by LaunaBeyers (1.8k points)

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How can computational studies help in predicting and designing the self-assembly of supramolecular structures?

asked Feb 6 in Computational Chemistry by Juliana93U49 (2.3k points)

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Determine the oxidation state of the chromium atom in the compound potassium dichromate (K2Cr2O7).

asked Feb 4 in Inorganic Chemistry by AnnettaCampb (1.8k points)

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How can chemistry teachers make the subject more interesting and engaging for students who lack interest in the subject?

asked Feb 6 in Chemical education by MariamPaine (1.9k points)

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How can computational methods be used to predict the formation and stability of supramolecular complexes between different organic molecules?

asked Feb 6 in Computational Chemistry by LinetteWaldo (1.6k points)

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Given a sample of dry ice (solid CO2) with a mass of 50 grams, calculate the amount of heat energy that needs to be added to sublimate it completely into gaseous CO2 at a temperature of -78.5°C. The heat of sublimation of CO2 is 25.2 kJ/mol. (Assume that CO2 is an ideal gas under these conditions.)

asked Feb 4 in ThermoChemistry by AbbeyBisson8 (1.9k points)

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How can coordination chemistry principles be applied to design more efficient chelating agents for the treatment of heavy metal poisoning in humans?

asked Feb 6 in Coordination Chemistry by HoracioMott0 (1.8k points)

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How can computational techniques such as molecular docking be used to identify potential inhibitors of a specific protein-protein interaction involved in a disease process?

asked Feb 6 in Computational Chemistry by CandyDemaio (2.3k points)

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How can chemists modify the chemical structure of existing antibiotics to overcome drug-resistant bacterial infections like MRSA (Methicillin-Resistant Staphylococcus Aureus)?

asked Feb 6 in Medicinal Chemistry by CaseyDemarco (1.7k points)

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How can inadequate training for chemistry teachers affect students' learning outcomes and their interest in pursuing further education or careers in chemistry-related fields?

asked Feb 5 in Chemical education by MarlaColes2 (2.1k points)

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How can first principles calculations be used to predict the electronic and magnetic properties of topological materials and provide insights into their potential applications in spintronics and quantum computing?

asked Feb 5 in Quantum Chemistry by AnjaAbt20068 (2.0k points)

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How can the conditions of the suspension polymerization process for the synthesis of polyvinyl chloride from vinyl chloride monomer be optimized to achieve a high yield and good quality of the polymer product? What factors need to be considered and what techniques can be used to achieve these conditions?

asked Feb 6 in Chemical synthesis by KatieManzi6 (1.6k points)

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How can computational studies be used to predict and analyze the self-assembly behavior of supramolecular structures and their properties, such as stability and reactivity?

asked Feb 5 in Computational Chemistry by Clint1927671 (1.7k points)

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Determine the oxidation state of all elements in the following compound: CoCl<sub>2</sub>•6H<sub>2</sub>O.

asked Feb 4 in Inorganic Chemistry by ElkeMary0923 (1.7k points)

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How can complex chemical concepts be simplified and better understood for students struggling to grasp them?

asked Feb 6 in Chemical education by Chantal75798 (1.9k points)

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