Recent questions in Chemistry

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How can computational methods be used to predict the catalytic activity and selectivity of a particular catalyst for a given chemical reaction in quantum chemistry?

asked Feb 5 in Quantum Chemistry by MapleCasilla (350 points)

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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 5 in Computational Chemistry by CarynSpradli (510 points)

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How can computational chemistry tools be used to identify novel inhibitors for specific protein-protein interactions involved in a certain disease pathway? Specifically, using molecular docking studies, can the interactions between the two proteins be analyzed and potential small molecule inhibitors be identified and characterized for their efficacy and specificity?

asked Feb 5 in Computational Chemistry by RaymundoLhot (290 points)

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How can computational chemistry be used to study protein-protein interactions and lead to the discovery of potential inhibitors for disease-related interactions? Specifically, can molecular docking studies be used to predict the binding affinity and selectivity of a small molecule inhibitor to a protein-protein interface involved in a particular disease pathway?

asked Feb 5 in Computational Chemistry by EmoryMoorhou (370 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 5 in Computational Chemistry by JennyCouch7 (410 points)

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How can computational chemistry be used to optimize the synthesis of metal-organic frameworks for improved gas storage and separation?

asked Feb 5 in Computational Chemistry by GabrieleMich (290 points)

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How can computational chemistry be used to determine the binding affinity between a host molecule and guest molecules in supramolecular chemistry?

asked Feb 5 in Computational Chemistry by WillLienhop1 (90 points)

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How can computational chemistry be used for molecular docking studies to identify potential drug candidates that bind to a target receptor with high affinity and specificity?

asked Feb 5 in Computational Chemistry by MattieMcQuad (350 points)

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How can computational chemistry and molecular modeling methods be used to predict the properties of a new drug molecule, such as its solubility, stability, and effectiveness in treating a specific disease? Specifically, how do molecular optimization techniques like ligand docking and quantum chemical calculations aid in the design and development of safe and efficacious drugs?

asked Feb 5 in Physical Chemistry by AbrahamMcder (550 points)

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How can computational chemistry and molecular modeling help in predicting the behavior of molecules in reactions and designing new molecules with specific properties?

asked Feb 5 in Physical Chemistry by Malissa3892 (170 points)

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How can computational chemistry and molecular modeling be used to simulate the behavior of chemical compounds in different environments, and how can these simulations be validated experimentally?

asked Feb 5 in Physical Chemistry by TrentAdam35 (710 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 5 in Physical Chemistry by RosalynN244 (70 points)

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How can computational chemistry and molecular modeling be used to predict the potential energy surface for a chemical reaction and determine the corresponding reaction mechanism?

asked Feb 5 in Physical Chemistry by RebeccaCnk8 (390 points)

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How can computational chemistry and molecular modeling be used to predict the chemical and physical properties of a new drug molecule before it's synthesized, allowing researchers to make informed decisions about its potential effectiveness and safety?

asked Feb 5 in Physical Chemistry by JJZIlana5534 (330 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 5 in Computational Chemistry by EarlKeisler (350 points)

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1 answer 31 views

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

asked Feb 5 in Chemical education by ChristalStro (330 points)

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1 answer 11 views

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 5 in Chemical education by TylerRobin60 (430 points)

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1 answer 35 views

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

asked Feb 5 in Medicinal Chemistry by ZacheryBradw (220 points)

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1 answer 33 views

How can chemists design new drugs that target specific receptors in the gastrointestinal tract to treat conditions such as irritable bowel syndrome and inflammatory bowel disease?

asked Feb 5 in Medicinal Chemistry by DinahDixson (250 points)

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1 answer 29 views

How can chemistry-related extracurricular activities be made more widely available to students in areas where resources are limited, in order to enhance their learning and interest in the subject?

asked Feb 5 in Chemical education by DesireeNaqui (310 points)

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