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How can quantum chemical calculations help explain the strength and stability of non-covalent interactions between molecules such as hydrogen bonding, van der Waals forces, and π-π stacking in biological systems? Provide specific examples from published literature where these calculations have been used to investigate non-covalent interactions in biomolecules such as proteins, nucleic acids, or carbohydrates.

asked Feb 5 in Computational Chemistry by EnriquetaDam (2.3k points)

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Determine the standard enthalpy change for the formation of water (H2O) when hydrogen gas (H2) reacts with oxygen gas (O2) according to the balanced equation:2H2(g) + O2(g) → 2H2O(l)Given that the standard enthalpy change of formation for H2O(l) is -285.8 kJ/mol, calculate the amount of heat absorbed or released when 4.50 moles of H2O(l) is formed under standard conditions.

asked Feb 4 in Chemical thermodynamics by CIGArmando01 (1.8k points)

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How can molecular docking studies be used to design new drugs for a specific protein target?

asked Feb 5 in Computational Chemistry by AngelikaYvu6 (1.9k 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 MarianneBarc (1.7k 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 JeffreyCone5 (1.7k points)

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How can crystallography and knowledge of crystal structures be used to determine the purity of a particular substance?

asked Feb 5 in Physical Chemistry by Denny08T6070 (2.5k 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 StephanieLeF (1.9k points)

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How can instructors in a chemistry classroom provide more effective support for students with learning disabilities to achieve their academic goals in the subject?

asked Feb 5 in Chemical education by LaunaBeyers (1.8k points)

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How can researchers modify existing antibiotics to combat drug-resistant bacteria and what are the challenges associated with this approach?

asked Feb 5 in Medicinal Chemistry by YOKIva496594 (2.6k points)

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How can molecular dynamics simulations help in understanding the folding mechanism of a protein? Provide a step-by-step analysis of the simulation process and explain how the output data can be interpreted to study protein folding.

asked Feb 5 in Computational Chemistry by FlorianRegis (2.0k 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 5 in Medicinal Chemistry by ChristiCambe (1.3k points)

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How can inadequate training for chemistry teachers be addressed to improve students' understanding and interest in chemistry?

asked Feb 5 in Chemical education by AbbeySorenso (1.8k points)

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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 AndreasLdp14 (1.7k 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 TiaMuirden46 (2.3k points)

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How can Quantum Information Processing be used to improve the computational efficiency of molecular dynamics simulations and drug discovery in the field of chemistry?

asked Feb 5 in Quantum Chemistry by Candida6637 (1.6k points)

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How can medicinal chemists develop new treatments for autoimmune diseases that target the immune system specifically without affecting other healthy cells?

asked Feb 5 in Medicinal Chemistry by NicholeBlade (2.1k points)

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How can inadequate preparation for chemistry exams impact a student's grades and overall academic performance? Specifically, what study methods and strategies can be employed to improve understanding and retention of key concepts in chemistry?

asked Feb 5 in Chemical education by SamMph085344 (2.4k points)

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How can one design and synthesize a polymer-based optical material with a high refractive index for potential use in optical devices such as lenses or waveguides?

asked Feb 5 in Polymer Chemistry by RamiroShockl (2.3k 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 Linwood6326 (2.3k points)

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How can quantum chemical calculations be effectively used to predict and analyze the strength and nature of non-covalent interactions, such as hydrogen bonding or van der Waals interactions, between molecules in a complex chemical system?

asked Feb 5 in Computational Chemistry by RodolfoKello (2.0k points)

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