All Questions
Tagged with proteins physical-chemistry
6
questions
0
votes
0
answers
31
views
Can Amphotericin B cross a lipid bilayer membrane in its zwitterionic form when it is loaded in the aqueous core of a liposome?
Can Amphotericin B cross a lipid bilayer membrane in its zwitterionic form when it is loaded in the aqueous core of a liposome? Or must it be uncharged in order to cross the lipid bilyer membrane of ...
- 11
7
votes
2
answers
3k
views
How to use Google’s Alpha-fold to predict the structure of a two-protein complex?
Alpha-fold won the CASP13 and CASP14 competitions last year and this year. It used deep learning to predict the secondary structure of a protein given the primary amino acid sequence.
Google has ...
- 924
2
votes
1
answer
50
views
What aspects of a macromolecule/protein do the various contributions to its entropy relate to?
I've come across a few different contributions to entropy in macromolecules such as proteins: configurational, conformational and vibrational. The problem is that I can't seem to find a consistent ...
- 21
2
votes
0
answers
529
views
NAMD free energy calculations (FEP, Alchemical)
I am trying to calculate the absolute free energy of a protein-ligand-complex using the free energy perturbation theory.
Following the alchemical route in this tutorial, I have calculated eight MD-...
- 661
3
votes
1
answer
289
views
What is the molecular mechanism behind oncotic pressure?
I can't wrap my head around the idea of oncotic pressure and osmolarity, logically.
I imagine a blood vessel. It is filled with proteins, like a ton of proteins and solutes. So this means, according ...
- 703
1
vote
0
answers
208
views
Energy required to break salt bridges in peptides and proteins
Is there a way to calculate the energy required to break a salt bridge in a peptide or on the exposed surface of a protein in aqueous solution? Is there any useful literature on this topic? I'm ...
- 11