What software could help me for virtual screening of drug and coformer noncovalent interaction ?

More Mandava Kiranmai's questions See All

Analysis of CDOCKER scores -Does high positive value indicate high binding affinity?

Hello, I am using CDOCKER of BIOVIA Discovery studios for Molecular Docking. I need to compare the binding affinity of small molecules to my protein target. I am doing a comparative analysis. My...

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What are the most important factors in the doctor(orthodontist)-patient relationship?

As we move into the next decade there is a big gap in the communication between the orthodontist patient relationship, and we need to focus on the barriers of communication between the doctor and...

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Procrastination and time management in orthodontic post graduates-is it rampant?

As there is increased absenteeism, lack of interest, difficulty in managing academic work and clinical work which is more in the last decade I am interested to know the current research in this...

20 December 2019 8,996 2 View

Do research in mindfullness has a bright future? If so, in which areas can a technical person concentraete?

I am interested to start my new research in mindfullness. I like to know the possibles areas I can concentrate with the knowledge of signal processing and Python programming.

23 July 2019 4,717 2 View

What is the stability of correction of Open bite using magnets in early adult group??

As the magnets are very economical, safe and feasible which is very cost effective to the patients we are interested in the stability of the results?

28 February 2019 435 0 View

What is the percentage of stability of secondarily inserted orthodontic miniscrews after failure of the primary insertion ??

In view of the recent innovations and modifications in the mini screws and mini plates it would be clinically useful to know the percentage of success in the secondary insertion?

22 March 2018 9,034 5 View

Can anybody share knowledge about ultrasound nanogels prepared from silver nanopartcles

to avoid spread of infections from one patient to other want to prepare sterile antibacterial gel

15 August 2017 9,061 4 View

What are the effects of malocclusion on the physical, social and psychological functioning of orthodontic patients?

Due to the current increase in the rise of psychological and psycho-social problems does the malocclusion have stress related problems in orthodontic patients?

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How to quantify the anthocyanin content of plants?

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Is it reliable to add plant extract and beta cyclodextrin both to CuSO4 solution inorder to get Cu nanoparticles?

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Why did the authors extrapolate a phenotype that they experimentally proved in one bacterial strain across the whole genus of the organism?

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For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

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Where to find a gene list for CRISPRa/i library screening of regulatory factors that affect pathogenic Th17 differentiation in PBMC?

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Inquiry on Maximum Nucleic Acid Volume for 2.5 mL Liposome Solution?

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Seeking Software Recommendations for SELEX NGS Data Analysis?

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MAGeCK Plotting Error: Logarithmic Axis Must Have Positive Limits?

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Could you try using PeptiCloud and see if it's a useful tool for biology research?

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Should the amount of DNA input used for ChIP-seq library preparation be matched between the control and experimental groups?

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Screening of EPS producer LAB?

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What is the suitable solvent of MIL-100 for chemotherapy?

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Pranavathiyani G.

You can try with AutoDock Vina or PyRx.

http://vina.scripps.edu/

http://pyrx.sourceforge.net/

http://www.vls3d.com/links/chemoinformatics/virtual-screening/structure-based-virtual-screening

Yoshinobu Ishikawa

Hi Mandava,

You should check the following ResearchGate archive:

https://www.researchgate.net/post/How_to_do_virtual_screening_of_a_library_of_ligands_through_autodock_Vina/1

Mandava Kiranmai

thanks Yoshinobu Ishikawa