Výsledky vyhledávání - "M. Ram Vivek"

Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite

Autor: Anamika Singh Gaur, Lijo John, Nandan Kumar, M. Ram Vivek, Selvaraman Nagamani, Hridoy Jyoti Mahanta, G. Narahari Sastry

Publikováno v: Molecular diversity.

A fragment-based drug discovery (FBDD) approach has traditionally been of utmost significance in drug design studies. It allows the exploration of large chemical space to find novel scaffolds and chemotypes which can be improved into selective inhibi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f6314b515f70adc1ae54cf637a3abdd
https://pubmed.ncbi.nlm.nih.gov/35925528

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On the origin of spurious errors in many-body expansion for water cluster

Autor: M Ram Vivek, Soumen Saha, G. Narahari Sastry

Publikováno v: Journal of Chemical Sciences. 129:1053-1060

Many-body expansion (MBE) has been carried out to investigate two- to five-body energy terms and their contributions to the interaction energy (IE) of ( $$\hbox {H}_{2}\hbox {O})_{15}$$ cluster. We have observed that the erroneous contribution of man

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6e1ab79cd51f4616b3bf050e0cb3505a
https://doi.org/10.1007/s12039-017-1303-5

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Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis $$(\mathbf{MPDS}^{\mathbf{TB}})$$ ( MPDS TB )

Autor: Subramanian Venkatesan, Neeraj Kumar Rajput, Pankaj Narang, Aparna Singh, Prasun Dutta, D Arun Kumar, Karunakar Tanneeru, Anurag Passi, Anshu Bhardwaj, Harish Jangra, Kaamini Raithatha, Uca Jaleel, Anamika Singh Gaur, Prasad V. Bharatam, G. Narahari Sastry, Anmol J. Hemrom, Ruchi Mishra, S Hemasri, Deepak R. Bharti, Gajendra Ps Raghava, Yogesh M. Joshi, Hari Sailaja, Rakesh Kumar, P Sri Saranya, Suresh Kumar, M Prasanthi, Deepak Pandit, Kumardeep Chaudhary, N Yedukondalu, M. Karthikeyan, R. Venkata Krishnan, Sridhara Janardhan, Devesh Kumar, M Ram Vivek, Neha Tripathi, E. R. Azhagiya Singam, Reetu Sharma, Asheesh Kumar, R Srinithi, Lijo John, Chinmayee Choudhury, Andrew M. Lynn, Arun Sharma, Abhaysinh Mori, Nandan Kumar, Vijay M. Khedkar, Charuvaka Muvva, Sandeep Singh, Chinmai Madhuri, Anirban Banerji

Publikováno v: Journal of Chemical Sciences. 129:515-531

Molecular Property Diagnostic Suite ( $$\text {MPDS}^{\mathrm{TB}}$$ ) is a web tool ( http://mpds.osdd.net ) designed to assist the in silico drug discovery attempts towards Mycobacterium tuberculosis (Mtb). $$\text {MPDS}^{\mathrm{TB}}$$ tool has n

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d5549616acc8829c5cabdc772c203e03
https://doi.org/10.1007/s12039-017-1268-4

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Modeling the permeability of drug-like molecules through the cell wall of Mycobacterium tuberculosis: an analogue based approach

Autor: Sridhara Janardhan, M Ram Vivek, G. Narahari Sastry

Publikováno v: Molecular bioSystems. 12(11)

The emergence of drug resistant strains of Mycobacterium Tuberculosis (Mtb) accentuates the urgent need for the development of novel antitubercular drugs. The major causes of drug resistance are genetic mutations, the influx–efflux transporter syst

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1394bc45971c6845b901655433ac3d53
https://pubmed.ncbi.nlm.nih.gov/27604290

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