1. Regarding Molecular dynamics simulations in Drug-DNA Interaction complexes ?

13 October 2017 1 7K Report

whenever we perform MD simulation (although i have not yet started doing MD of my complexes); we provide water as the solvent or water environment; why can't we use any other polar/non-polar solvent as an environment during the MD simulation?

Hamit Can

https://www-s.ks.uiuc.edu/Publications/Papers/PDF/BOEH91/BOEH91.pdf

Badges
Science topic

Similar topics
Chemistry
Chemicals
Solvents

More Anwesh Pandey's questions See All

Can we convert a thousand of FASTA sequence in numeric form in .csv format? If yes kindly send me the script for the same?

I have a .text file for various FASTA sequence , and i want to convert these sequences into a numeric file which will be in .csv format. OR I want to extract physiochemical properties(features)...

25 July 2024 3,650 2 View

Challenges in Stabilizing and Concentrating a Highly Unstable Acetyltransferase for Crystallization?

I am working on an acetyltransferase that is highly unstable. Its pI is 6.65, and its molecular weight is around 18 kDa. The protein elutes at 1M imidazole and begins to precipitate immediately...

19 June 2024 2,590 0 View

How planer biaxiality would affect the dynamic strain aging in SS 316LN during low cycle fatigue?

As the biaxial loading may implement additional hardening of the material during fatigue with an increase in the biaxiality ratio. What would be the effect of planer biaxiality on dynamic strain...

31 May 2024 9,104 0 View

What are the ethical implications of biometrics in light of the ADHAAR project of India?

Ethics

15 April 2024 6,778 1 View

How can I measure the electrochemical stability window of ZIB for electrolytes?

Hello! I want to know how to test the electrochemical stability of the electrolyte (2M ZnSO4 solution) I have measured electrochemical stability window of a electrolyte by 3 electrode...

26 March 2024 3,306 1 View

Hi all how one can calculate C:N:P ratio?

Dear all, Will you please let me know how to calculate the carbon, nitrogen, and phosphorus (C: N:P) ratio in wastewater? Is it advisable to measure total COD, nitrogen, and phosphate? or I...

05 February 2024 4,105 3 View

OCP measurement in corrosion study?

When OCP stabilizes in a given electrolyte there is formation of passivation layer on sample surface or it shows that at this potential corrosion occurs. Also my tafel Ecorr values are not comming...

04 February 2024 8,735 2 View

My PCR thermocycler ABI Veriti has ramp rate 5°C/sec . how i will set program given in description box the problem is that ramp rate programmed as %?

Stage Temp Time Temp/time 1 95°C 5min - 2 95°C-85°C -...

31 January 2024 1,925 0 View

How green knowledge management influence green innovation and organizational green culture?

Please explain the role of green Knowledge management in brief and its influences.

24 January 2024 6,248 2 View

Regarding phyco-remediation cattle derived wastewater?

Hello intellect. I am working with an algal consortium to treat wastewater derived from cattle (CRWW). Different dilutions of raw CFWW (FCWW/dH2O; v/v) were used for algal cultivation. As a...

20 January 2024 341 1 View

What is the solvent for 8YSZ nano material?

I need to do some experiment with it in liquid form.

07 August 2024 613 3 View

How can I inoculate a lyophilized anaerobic bacteria into the culture medium without an anaerobic chamber?

There are anaerobic gas pak jars and environment providers in the laboratory that provide anaerobic environmental conditions for the growth of anaerobic bacteria. However, there is no anaerobic...

05 August 2024 4,945 3 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

What is the role of oxidative stress in toxin-induced carcinogenesis?

What is the role of oxidative stress in toxin-induced carcinogenesis? I am currently researching the impact of environmental toxins on children's health and would greatly appreciate insights from...

02 August 2024 3,174 1 View

How do environmental toxins interact with genetic predispositions to increase cancer risk?

I am currently researching the impact of environmental toxins on children's health and would greatly appreciate insights from experts in the field. If you are an expert or researcher working on...

02 August 2024 2,627 1 View

Are current regulations effective in preventing cancer caused by toxins?

I am currently researching the impact of environmental toxins on children's health and would greatly appreciate insights from experts in the field. If you are an expert or researcher working on...

02 August 2024 4,474 2 View

I need to dissolve stigmasterol for an animal experiment, it hasn't dissolved in either DMSO or vegetable oil. Can anyone recommend the best solvent?

Hello everyone, I need to dissolve stigmasterol for an animal experiment, but it hasn't dissolved in either DMSO or vegetable oil. Can anyone recommend the best solvent for stigmasterol?

01 August 2024 7,504 2 View

Why microbes are used in environmental engineering and role of microbes in reducing environmental pollution and improving environmental quality?

25 July 2024 5,192 5 View

Can primary care be sustainable ? And how ?

I am starting to work on this question, with particular reference to what we might be able to learn from countries outside the UK. Of course this topic is huge, and I am breaking sustainability...

25 July 2024 1,545 3 View

What methods can be used to minimize environmental variability in breeding trial ?

In breeding trials, environmental variability can significantly affect the results, making it challenging to accurately evaluate the performance of different lines and hybrids.

22 July 2024 3,961 4 View