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How does the binding affinity between a specific protein and its ligand vary with temperature, and how can molecular dynamics simulations be used to predict and understand these changes?

asked Feb 17 in Computational Chemistry by Courtney87O (1.8k points)

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How does the binding affinity between a protein and ligand change with varying pH levels? Use molecular dynamics simulations to investigate this interaction and determine the effects of ionization on the stability of the protein-ligand complex.

asked Feb 17 in Computational Chemistry by MalloryMarco (1.3k points)

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How does the binding affinity between a protein and a small molecule ligand change when the temperature is increased in a molecular dynamics simulation?

asked Feb 17 in Computational Chemistry by EdithLindt35 (1.6k points)

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How does the binding affinity between a protein and a ligand change with varying temperature in molecular dynamics simulations?

asked Feb 17 in Computational Chemistry by AnaYdc643424 (1.8k points)

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How does the binding affinity between a protein and a ligand change when specific amino acid residues in the protein are mutated, and how can molecular dynamics simulations be used to predict and analyze these changes?

asked Feb 17 in Computational Chemistry by ConcettaAmse (2.0k points)

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How does the binding affinity between a protein and a ligand change when the temperature is increased using molecular dynamics simulations?

asked Feb 17 in Computational Chemistry by FelicitasVas (2.1k points)

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What is the surface area of a specific adsorbent material if it has an adsorption capacity of 5.6 mmol/g and a monolayer capacity of 4.2 mmol/g, according to the BET theory of multilayer adsorption?

asked Feb 17 in Surface Chemistry by LeaDoss42672 (1.8k points)

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How does temperature affect the multilayer adsorption of gases onto solid surfaces predicted by the BET theory? Provide experimental evidence to support your answer.

asked Feb 17 in Surface Chemistry by BroderickHom (2.1k points)

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1 answer 97 views

What type of polymer material is best suited for developing optical lenses with high refractive indices and low dispersion values?

asked Feb 17 in Polymer Chemistry by HughNewquist (2.3k points)

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What spectroscopic technique is best suited for studying the electronic transitions in transition metal coordination compounds containing a ligand with significant pi-donation properties, such as an ethylenediamine or a bipyridine ligand?

asked Feb 17 in Coordination Chemistry by SommerBartos (1.8k points)

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What is the best reaction condition for the preparation of phenylalanine using benzyl chloride and ammonia?

asked Feb 17 in Chemical synthesis by FerneSparks (2.3k points)

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What is the best reaction condition for synthesizing polystyrene from styrene monomer with a high yield and molecular weight using free radical polymerization?

asked Feb 17 in Chemical synthesis by Benedict1233 (1.9k points)

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1 answer 95 views

What is the best protecting group for the hydroxyl group in a molecule containing both alcohol and carboxylic acid functionalities that needs to undergo selective chemical modification of only one of these functionalities, and why?

asked Feb 17 in Organic Chemistry by MarlaColes2 (2.1k points)

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What are the best polymer-based materials for creating flexible electronic devices with high electrical conductivity, and how can we optimize their synthesis and processing to achieve optimal performance?

asked Feb 17 in Polymer Chemistry by ElissaSegura (1.6k points)

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What are the best polymer-based adhesives and sealants for bonding and sealing plastics, metals, and ceramics in automotive manufacturing, and what properties of these polymers make them well-suited for this application?

asked Feb 17 in Polymer Chemistry by Kenneth76952 (1.9k points)

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1 answer 92 views

What is the best method to remediate soil contaminated with heavy metals such as lead, chromium, and cadmium, to reduce their impact on agricultural crops?

asked Feb 17 in Environmental Chemistry by BrentonMcQua (1.7k points)

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1 answer 92 views

What is the best method for synthesizing high molecular weight polyvinylpyrrolidone from vinylpyrrolidone monomer?

asked Feb 17 in Chemical synthesis by MyrnaFaerber (1.8k points)

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1 answer 95 views

What is the best method for preparing 2-chloro-4-nitroaniline from aniline and chlorine gas, and what are the optimal reaction conditions (temperature, pressure, reaction time, etc.) to obtain the highest yield of the desired product?

asked Feb 17 in Chemical synthesis by MindyR870320 (1.6k points)

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What is the best catalyst and reaction conditions for the synthesis of polyvinylpyrrolidone from vinylpyrrolidone monomer, in terms of high yield and low impurities?

asked Feb 17 in Chemical synthesis by JewelSchaffe (1.8k points)

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1 answer 85 views

Which analytical method is the best for detecting and quantifying multiple pesticide residues in food samples, and how can the data obtained be used to assess the potential health risks associated with consuming these foods?

asked Feb 17 in Environmental Chemistry by TereseMandal (1.7k points)

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