slashdave
slashdave t1_jbz9uck wrote
Reply to comment by danby in What exactly is going on when a protein (or other molecule) binds with a receptor? by Eat-A-Torus
>Why on earth would we be only interested in simple cases?
We aren't. The statement "we don't have a good way of modeling the dynamics of proteins" isn't correct. If you want to amend that to "complex systems", you might have an argument, but there are also accelerated MD methods that are quite effective.
slashdave t1_jbvxji0 wrote
Reply to comment by danby in What exactly is going on when a protein (or other molecule) binds with a receptor? by Eat-A-Torus
The intermediate states are irrelevant. It is only the free-energy difference of the two states (bound and unbound) that matter.
slashdave t1_jbvxc0t wrote
Reply to comment by danby in What exactly is going on when a protein (or other molecule) binds with a receptor? by Eat-A-Torus
Molecular dynamics is adequate in most simple cases. You could say we are limited with what kind of computing power we can apply in complex systems.
slashdave t1_jbvx27g wrote
Reply to comment by mikedensem in What exactly is going on when a protein (or other molecule) binds with a receptor? by Eat-A-Torus
You need to think in terms of statistical mechanics. These systems happen in an ensemble. The system has many allowed states, some bound, some not bound. The occupancy of these states depend on the free energy difference of the two states. So we are really talking about probability. In many cases, it is the solubility of the ligand that matters most (how much the ligand prefers to be surrounded by water).
slashdave t1_jbvwn67 wrote
Reply to comment by -Metacelsus- in What exactly is going on when a protein (or other molecule) binds with a receptor? by Eat-A-Torus
Not entirely accurate. Much of the free-energy of binding is related to entropy, depending on the ligand. A tight binding configuration, even with favorable energy, will not provide strong binding if it is not accessible (high enough favorable entropy).
slashdave t1_jbvw6c1 wrote
Reply to What exactly is going on when a protein (or other molecule) binds with a receptor? by Eat-A-Torus
>But the scale is far too small for those sorts of concepts of rigidity or even solidity, right?
No, atoms are solid, and the bonds in the molecules are usually quite strong. The lock-and-key analogy is not very good, however. For one thing, molecules and proteins are not rigid. And the binding is a statistical process. It's just that the protein and molecule prefer (by favorable energy and entropy) to be together then apart in solution.
slashdave t1_j9e4lww wrote
Depends on the force that is applied. For gaseous pressure (equal force on all sides), sure (you can argue this from symmetry). For compression force (like a vice), the cube is stronger, because all the force in this case would be applied at just two points on a sphere.
slashdave t1_j9e4c45 wrote
Reply to comment by paleblueyedot in Why can’t you “un-blur” a blurred image? by so-gold
>The only possible image that could’ve created the new blurred image is your original photo right?
No. Just consider the extreme. What if you blurred an image so much that it turned into a solid color?
slashdave t1_j92o93s wrote
Generative models for text to video don't have much to do with the reverse, video to text (label).
slashdave t1_j80hs32 wrote
Reply to [D] Critique of statistics research from machine learning perspectives (and vice versa)? by fromnighttilldawn
Different goals and different tools
slashdave t1_j7tbl3o wrote
slashdave t1_j6do6do wrote
Reply to comment by CubanHermes in Is there an upper limit to structure size in a vacuum? Could a sufficiently advanced civilisation build a galaxy sized structure in space or would it become too massive and collapse in on itself? by CubanHermes
Not sure where you are going. Given the choice of any type of construct, of course it is possible. After all, if you could somehow move astronomical masses around, you could just create your own galaxy.
slashdave t1_j6ahtf1 wrote
Reply to Is there an upper limit to structure size in a vacuum? Could a sufficiently advanced civilisation build a galaxy sized structure in space or would it become too massive and collapse in on itself? by CubanHermes
Galaxies are not dense on average, because of the space between stars. If you want something galaxy sized but denser, there is the serious issue of where you could obtain enough material, since the space between galaxies is quite vast.
slashdave t1_j39rebm wrote
Reply to comment by cpbayern24 in How much do water molecules move around within a stationary body of water? by KpgIsKpg
Speed doesn't tell you very much, since they aren't traveling in a straight line.
slashdave t1_j2n71jj wrote
Reply to comment by [deleted] in When pharmaceutical companies develop new prescription drugs, do they test every method of delivery to the human body? For example, injected, orally, topically, rectally, etc? by scottyboy218
>Pharmaceutical companies typically test multiple methods of drug delivery during the development process for a new prescription drug.
No, that would be unusual.
>some drugs may be more effective when delivered intravenously (through an injection) because they can be quickly absorbed into the bloodstream and distributed to the target tissue.
Speed is rarely a concern. Exposure (duration of effect) is the common issue. Here oral delivery can have an advantage, since a pill formulation can reside in the digestive system for hours, extending the time for absorption.
slashdave t1_j2l1bxu wrote
Reply to When pharmaceutical companies develop new prescription drugs, do they test every method of delivery to the human body? For example, injected, orally, topically, rectally, etc? by scottyboy218
Every method? No, that just wastes money.
Standard practice is to have a "target product profile" which guides development. The mode of delivery is typically established in advance. Since clinical studies are very expensive, it is normal to initially focus on one method of delivery. After initial market introduction, additional methods could be added to expand the market.
slashdave t1_j1zwb0a wrote
SVG supports complex shapes via paths, text, images (photos) and complex fills including gradient fields.
slashdave t1_j11t701 wrote
Reply to comment by Tanagriel in Could being submersed in a sealed tank of fluid help humans survive heavy G acceleration in outer space? by cheeze_whiz_shampoo
In the UFO TV show, the aliens space suits were filled with blue liquid for breathing. This idea turned into a plot device later in the series (the aliens were very human looking, with a blue skin color only due to this liquid staining their skin).
slashdave t1_iydpou1 wrote
Reply to comment by trajo123 in Does anyone uses Intel Arc A770 GPU for machine learning? [D] by labloke11
Power costs dwarf hardware costs, by miles. Come up with an power efficient GPU, and we'll talk.
slashdave t1_iutzrjf wrote
Reply to [D] Graph neural networks by No_Captain_856
Without edges, you don't have a graph
slashdave t1_iuoxvz3 wrote
Reply to Are gelcaps more bioavailable than tablets or pills? (Context: diphenhydramine) by ExoticPlastic3330
Absorption is effected by many factors, and varies person-to-person. So it is possible that gelcaps work better for you, but there probably isn't a good reason to suspect that this is generally true for other people or for other drugs.
Benadryl already has high oral bioavailablity (40-60% by reports). It's a little hard to get better than that, no matter the type of formulation.
slashdave t1_jc2e8px wrote
Reply to comment by Eat-A-Torus in What exactly is going on when a protein (or other molecule) binds with a receptor? by Eat-A-Torus
Atoms repel each other quite strongly using what is described as "Van der Waals" forces (electrostatic in nature). The length of bonds between atoms are relatively inflexible and keep bonded atoms close enough to prevent other atoms from slipping between.
For example, proteins often fold around and trap water molecules within their structure. Many of these water molecules remain trapped until the protein decays.