What will happen if my drug doesn't follow lipiniski rules

More Rimon Parves's questions See All

What is the difference between 6-311G ** ++ and 6-311G (d,p) ++ basis in Gaussian or jaguar software?

I am confused about 6-311G ** ++ and 6-311G (d,p) ++ basis.. both are synonymous or not? if not what is the difference? #Jaguar #gaussain #DFT #Ab-intio

08 September 2017 9,206 4 View

Gibbs free energy and Thermodynamic stability?

could anyone please explain a bit about relationship between gibbs free energy and thermodynamic stability of a ligand?

08 September 2017 7,647 0 View

How would I allocate memory and processor for DFT gaussian calculation?

my laptop has corei7 processor and RAM 6 Gb. I want to know about memory and allocation of processor in link tab. last night I tired for 5 core processor and memory 2Gb it said 2070 code...

08 September 2017 5,759 1 View

APC free publication, is there any international journal where can i publish my research article freely

as i am student and i don't have funding. so i an little bit bemused where should i submit my manuscript for free publication. i am from Bangladesh. is there any opportunity available in any...

07 August 2017 6,217 15 View

How can i perform molecilar dynamics simulation using NAMD/VMD software on win 10

I am eagerly waiting for learning and practicing Molecular dynamics. During practice I can not handle software with it's implementation . please help me about this

06 July 2017 918 6 View

Is changing the medium during the experiment overestimate the results?

I am experimenting with cancer and non-cancer cells in a 12-well plate for 4 days with a seeding density 1*10^4/well, however, I noticed that the control group growth rate slows down on D3. Should...

07 August 2024 2,283 2 View

Why don't d-orbitals split themselves, why does it take a ligand? why don't protons from ligand repel nucleus split d-orbitals?

why don't d-orbitals split themselves because of themselves without the presence of ligands? Electrons are indistinguishable. Why wouldn't it be more correct that protons from a ligand split the...

03 August 2024 3,589 3 View

Why doesn't chromium 2+ ion use all its d-orbitals to receive lone pairs from six waters in [Cr(H20)6)]3+?

I'm guessing it's because the ligand experiences too much electron repulsion or proton repulsion from the chromium to insert them close to the 3d-orbitals which are close to the metal nucleus. Is...

03 August 2024 1,370 1 View

Which solvent is better to dissolve with secondary metabolites extracted from fungi?

I work on MCF7 cell cell for anticaner purpose and I wa to do drug preperation the drug ( secondary metabolites extracted from Aspergillus) My question which solvent is better with these secodary...

03 August 2024 4,725 2 View

Can i quantify a nanoparticle encapsulated in cell culture medium by hplc?

Hello, if you made a transwell assay where you incubate the cells with a nanoparticle-encapsulated drug and considering that in the oposite compartment you'll have both the free and encapsulte...

03 August 2024 2,730 1 View

How can you draw a coordinate bond between a metal and donor atom in metal complexes, using discovery studio visulizer software?

Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer

30 July 2024 3,354 1 View

AutoGrid and Autodock 4.2.6 window opens for 1 second then closes and there is no output files?

Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...

28 July 2024 2,136 4 View

How to maintain the drug concentration in cell culture study for long term?

I am working in the filed of long acting drugs with Nano formulation. I want to study the efficacy of my formulation in 2D cell cultures while this required media change on every two days. In such...

24 July 2024 8,696 0 View

How can I determine if a drug binds to a ribosome using a Cryo-EM map?

Hello, I am searching for the binding position of a drug in a ribosome, based on previous work indicating it binds there. The resolution of the ribosome-drug Cryo-EM map is around 2.5 Å. I've been...

19 July 2024 2,155 0 View

How to determine LOD values?

I am performing fluorescence experiments using a ligand to detect metal ions. I want to determine the Lowest Detection Limit (LOD) using the formula LOD = 3σ / K. However, I'm uncertain about...

19 July 2024 1,086 1 View