Molecular dynamicsModel studies on the macrocyclic immunosuppressive agent FK506 challenge traditional approaches to defining a structure from data collected during a 2D NMR experiment. A variety of joint molecular dynamics/NMR-distance refinement methodologies are characterized. From the results it is ...
the default is to apply built-in pKa model to determine predominant protonation state. To keep protonation as in input sdf, you can turn this off with _dockBatch -u option (or change it in
How To Determine Solubility 11m Functional Groups 48m 6. Thermodynamics and Kinetics1h 22m 31. Catalysis in Organic Reactions1h 30m 33. The Organic Chemistry of Metabolic Pathways2h 52m 2. Molecular Representations Topic summary Created using AI ...
Tell how IR spectroscopy could be used to determine when the given reaction below is complete. What is the difference between a catalyst and an intermediate? How can you tell them apart? How would you expect the IR and NMR spectra to be different between the ortho-, meta-, and para...
Biochemistry studies the chemical processes within and related to living organisms. It is a laboratory-based science that combines biology and chemistry, often focusing on the molecular level of life. Structure and function of enzymes in metabolic pathways Role of lipids in cell membrane structure and...
How to determine if a pair of substances are likely to form a homogeneous solution? Suppose Fe3+(aq), Ca2+(aq) and Ba2+ are all present in the same solution. Fully describe a procedure whereby you could separate these ions from one another. ...
Instability and decay of the primary structure of DNA. Nature 362, 709–715 (1993). Article CAS PubMed Google Scholar Greenberg, M. M. Looking beneath the surface to determine what makes DNA damage deleterious. Curr. Opin. Chem. Biol. 21, 48–55 (2014). Article CAS PubMed Google ...
The first Nuclear Magnetic Resonance (NMR) beams were detected in the 1930s by a team of researchers from Columbia University in New York City. Click to read more...
How would NMR (^1H or ^13C) spectroscopy be used to distinguish between the following pairs of compounds? (IMAGE) Does the cation of a solution affect the color, especially in comparison to the anion? Explain. How do you determine the absorbance when you know the EC is 19,300 M^{-1...
Describe two tests that you could use to determine if a compound is an aldehyde or a ketone. Explain whether 1-propanol can be oxidized to a carbolic acid? Explain whether 2-propanol can be oxidized to a carbolic acid? Show how 1-pentanol can be prepared from an alkene. ...