Is environment PH simulation the better one or is protonated protein PKa simulation better for acid protein?

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RIA. How to measure?

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28 February 2021 2,133 3 View

Benefits of the 24 welled plate?

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How can I homogenize this data to make a meta-analysis?

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22 February 2021 1,115 4 View

Research Gate Does it help researches to publicize their scientific work ?

In my opinion, the RG site is useful in solving scientific problems and shows the researcher's ability. Besides, the separation of the H-index from the self-citations and the overall index is an...

22 February 2021 3,894 6 View

Monte Carlo simulation?

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Which is the best software or programming language (user friendly) for analysing data?

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20 February 2021 3,950 15 View

Is There are any idea to achieve H NMR signals for swollen compound ??

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16 February 2021 8,801 3 View

How many samples can be pooled together for NGS?

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16 February 2021 5,466 4 View

Do we have any empirical model to model the combined effect of carbonation and chloride attack in concrete concerning climate change?

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08 February 2021 4,277 1 View

Flexibility of RNAseq?

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fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

Does the pressure(-600 mmHg) affects pH?

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03 March 2021 4,892 5 View

Chlorinated organic formation in odor control scrubbers using hypochlorite?

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03 March 2021 3,661 2 View

What solvent can I used for Paal Knorr reaction between 6-amino hexanoic acid and 2.5 hexanedione?

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02 March 2021 4,443 2 View

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

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Why are the velocities so high in my Boussinesq approximation Fluent simulation?

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Ester cleavage conditions?

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Pruthvi Raj Bejugam

Dear Kannan anna, Yes, even i have faced this problem some time back. in that case i have protonated the HIS, ARG, LYS and deprotonated the TYR, CYS residues which was pointed out by Prof. Tarik Nasser. I have used the Pka values given by the protein preparation wizard of Schrodinger maestro software. Accordingly i have prepared the system and then performed the MD simulation

Kannan M.

Thanks for your comments

i will follow accordingly