Which computational software is suitable to calculate the binding energy of water molecules?

Atilio Reyes Romero @Atilio_Reyes_Romero

10 October 2016 0 3K Report

I would like to get the binding energy of water molecules. Does anybody know a free software or a way to do it (such as is pymol)?

Badges
Science topic

More Atilio Reyes Romero's questions See All

Does a macrocycles database exist for fishing some knowledge from nature and from the drugs already in use in the market?

I am doing molecular modeling about macrocycles in drug discovery and I was wondering if a specific database where natural and drug-like ones are deposited. The idea consists in comparing their...

03 April 2017 8,797 4 View

What is the extinction coefficient of NADH and NAD+ at 280 nm?

I have an enzyme that has NADH. I don't know which form (protonated or not) is bound to the protein or if the co-factor is inside the enzyme. How is possible to determine these forms? Any hits to...

31 December 2016 9,600 0 View

What is the difference between BLR and BLR (DE3)?

I am pretty new in the field of protein purification. Normally I use AHT (anhydrotetracycline) to induce E coli BLR strain and p-ask-IBA3 as vector. Is there any difference between using BLR and...

11 December 2016 7,571 4 View

What is the most efficient method to make a complex of two molecules?

I need to merge two molecules and optimize interactions. I have Pymol, Jchem package from chemaxon and Babel as softwares.

08 September 2016 9,189 4 View

How to design a DNA sequence from an already known protein one?

What I normally do is get the protein primary sequence from the PDB and I order the right sequence of the DNA from the company. Any suggestion/tutorial?

08 September 2016 7,690 4 View

• What the possible Persistent Organic Pollutants and Heavy metals present in fluorspar, sediments, and water bodies around its mining area?

Approximate concentrations are require in compared with the WHO permissible limts

11 August 2024 2,723 1 View

Handling Missing Data and Building a Predictive Model with Incomplete Information ?

I am developing a predictive model for a water supply network that involves 20 influencing points. However, I only have historical data for 10 out of these 20 points. I would like to know how to...

10 August 2024 4,005 2 View

Which Scopus Journal provides the most affordable fees?

"PUBLISHING IN A SCOPUS JOURNAL" Researchers are now at a cross road. The critical need to publish in a Scopus or ISI, etc journal is ever vital. Journal Publication fees must be submitted....

10 August 2024 8,621 1 View

Do interactions between biosphere, carbon cycle, & water cycle impact global warming & interaction between atmosphere & hydrosphere?

How do interactions between the biosphere, the carbon cycle, and the water cycle impact global warming and interaction between the atmosphere and the hydrosphere?

09 August 2024 3,291 2 View

How to develop investments in renewable energy sources?

08 August 2024 5,112 3 View

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

Is it true that $\det(V(A))$ may be only $\pm 1$, depending on $n$, for the last symmetric tridiagonal matrix $A$?

One can try to generalize the Vandermonde determinant in the following direction: Let $A$ be any symmetric $n$-order square matrix. Consider its powers' diagonal elements $(A^k)_{ii}$ and...

08 August 2024 6,690 1 View

Could you please suggest methods to compare free protein and immobolized protein binding properties?

I have an antibody binding generic protein and I need to compare its activity in a free and immobolized form. I understand that there are a number of methods to determine Kd value of a free...

05 August 2024 5,311 0 View

How to Add Missing Water Molecules in Protein-Membrane Simulations?

I have protein-membrane simulations (PDB, PSF, DCD) and have noticed that water molecules near the protein are not visible in the simulations. How can I fix this issue? Is there a way to place the...

04 August 2024 1,200 2 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View