G. Narahari Sastry

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U. Deva PriyakumarProfessor, IIIT HyderabadZweryfikowany adres z iiit.ac.in
Tandabany DinadayalaneProfessor of Chemistry, Clark Atlanta UniversityZweryfikowany adres z icnanotox.org
Subha Mahadevi AlladiUniversity of Washington; IICT HyderabadZweryfikowany adres z uw.edu
Dolly VijayDepartment of Chemistry, University of DelhiZweryfikowany adres z chemistry.du.ac.in
Vladimir PoroikovInstitute of Biomedical ChemistryZweryfikowany adres z ibmc.msk.ru
Dr. Umadevi DeivasigamaniDST Scientist (WOSA), IIT PalakkadZweryfikowany adres z tcd.ie
Hemant Kumar SrivastavaNational Institute of Pharmaceutical Education and Research GuwahatiZweryfikowany adres z iitg.ac.in
Soujanya Yarasi TirapatturCSIR-Indian Institute of Chemical TechnologyZweryfikowany adres z iict.res.in
Dr Gaddamanugu GayatriGuru Nanak UniversityZweryfikowany adres z gniindia.org
Dr. Devesh KumarBabasaheb Bhimrao Ambedkar University, LucknowZweryfikowany adres z bbau.ac.in
Dr. Preethi BadrinarayanSenior Computational Research ScientistZweryfikowany adres z stjude.org
Mukesh Chourasia (PhD)Amity University, NoidaZweryfikowany adres z amity.edu
Dr. Purushotham Uppula Ph.D., FICSResearch scientist QSTATIX Pvt. Ltd.Zweryfikowany adres z gniindia.org
Thomas Ballyprofessor for physical chemistry, University of Fribourg, SwitzerlandZweryfikowany adres z unifr.ch
Sam de VisserUniversity of ManchesterZweryfikowany adres z manchester.ac.uk
Sason ShaikProfessor of Chemistry, Institute of Chemistry, The Hebrew University of JerusalemZweryfikowany adres z yfaat.ch.huji.ac.il
Prabhakar SripadiEx-Chief Scientist, Professor AcSIR, Department of Analytical & Structural ChemistryZweryfikowany adres z iict.res.in
BANDARU SATEESHProfessor, Hangzhou Dianzi UniversityZweryfikowany adres z hdu.edu.cn
Lagunin AlexeyИнститут биомедицинской химии им. В.Н. Ореховича РАМНZweryfikowany adres z ibmc.msk.ru
Dr. Chinmayee ChoudhuryFaculty (Contractual), IISER, Mohali, IndiaZweryfikowany adres z iisermohali.ac.in

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G. Narahari Sastry

Indian Institute of Technology Hyderabad

Zweryfikowany adres z neist.res.in

artificial intelligence computational chemistry computational biology non-covalent interactions


Tytuł Sortuj wg cytatów Sortuj wg roku Sortuj wg tytułu	Cytowane przez Cytowane przez	Rok
Cation− π interaction: Its role and relevance in chemistry, biology, and material science AS Mahadevi, GN Sastry Chemical reviews 113 (3), 2100-2138, 2013	1136	2013
Cooperativity in noncovalent interactions AS Mahadevi, GN Sastry Chemical reviews 116 (5), 2775-2825, 2016	846	2016
Virtual screening in drug discovery-a computational perspective AS Reddy, SP Pati, PP Kumar, HN Pradeep, GN Sastry Current Protein and Peptide Science 8 (4), 329-351, 2007	461	2007
Incorrect dissociation behavior of radical ions in density functional calculations T Bally, GN Sastry The Journal of Physical Chemistry A 101 (43), 7923-7925, 1997	356	1997
Cation [M= H+, Li+, Na+, K+, Ca2+, Mg2+, NH4+, and NMe4+] interactions with the aromatic motifs of naturally occurring amino acids: a theoretical study AS Reddy, GN Sastry The Journal of Physical Chemistry A 109 (39), 8893-8903, 2005	316	2005
CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds AA Lagunin, VI Dubovskaja, AV Rudik, PV Pogodin, DS Druzhilovskiy, ... PloS one 13 (1), e0191838, 2018	196	2018
Quantum mechanical study of physisorption of nucleobases on carbon materials: graphene versus carbon nanotubes D Umadevi, GN Sastry The Journal of Physical Chemistry Letters 2 (13), 1572-1576, 2011	191	2011
Synthesis, DNA-binding ability and anticancer activity of benzothiazole/benzoxazole–pyrrolo [2, 1-c][1, 4] benzodiazepine conjugates A Kamal, KS Reddy, MNA Khan, RV Shetti, MJ Ramaiah, S Pushpavalli, ... Bioorganic & medicinal chemistry 18 (13), 4747-4761, 2010	186	2010
Noncovalent interaction of carbon nanostructures D Umadevi, S Panigrahi, GN Sastry Accounts of chemical research 47 (8), 2574-2581, 2014	184	2014
What factors influence the rate constant of substrate epoxidation by compound I of cytochrome P450 and analogous iron (IV)-oxo oxidants? D Kumar, B Karamzadeh, GN Sastry, SP De Visser Journal of the American Chemical Society 132 (22), 7656-7667, 2010	183	2010
Exploring the size dependence of cyclic and acyclic π-systems on cation–π binding D Vijay, GN Sastry Physical Chemistry Chemical Physics 10 (4), 582-590, 2008	176	2008
Comprehensive Study on the Solvation of Mono- and Divalent Metal Cations: Li⁺, Na⁺, K⁺, Be²⁺, Mg²⁺ and Ca²⁺ JS Rao, TC Dinadayalane, J Leszczynski, GN Sastry The Journal of Physical Chemistry A 112 (50), 12944-12953, 2008	159	2008
The cooperativity of cation–π and π–π interactions D Vijay, GN Sastry Chemical Physics Letters 485 (1-3), 235-242, 2010	152	2010
Choline kinase: an important target for cancer S Janardhan, P Srivani, GN Sastry Current medicinal chemistry 13 (10), 1169-1186, 2006	143	2006
On the cooperativity of cation− π and hydrogen bonding interactions D Vijay, H Zipse, GN Sastry The Journal of Physical Chemistry B 112 (30), 8863-8867, 2008	141	2008
Molecular dynamics investigation on a series of HIV protease inhibitors: assessing the performance of MM-PBSA and MM-GBSA approaches HK Srivastava, GN Sastry Journal of chemical information and modeling 52 (11), 3088-3098, 2012	129	2012
Explicit solvent effect on cation− π interactions: a first principle investigation JS Rao, H Zipse, GN Sastry The Journal of Physical Chemistry B 113 (20), 7225-7236, 2009	129	2009
Molecular and Ionic Interaction with Graphene Nanoflakes: A Computational Investigation of CO₂, H₂O, Li, Mg, Li⁺, and Mg²⁺ Interaction with Polycyclic Aromatic … D Umadevi, GN Sastry The Journal of Physical Chemistry C 115 (19), 9656-9667, 2011	122	2011
A computational study of cation–π interactions in polycyclic systems: exploring the dependence on the curvature and electronic factors UD Priyakumar, M Punnagai, GPK Mohan, GN Sastry Tetrahedron 60 (13), 3037-3043, 2004	118	2004
Diels−Alder Reactivity of Butadiene and Cyclic Five-Membered Dienes ((CH)₄X, X = CH₂, SiH₂, O, NH, PH, and S) with Ethylene: A Benchmark Study TC Dinadayalane, R Vijaya, A Smitha, GN Sastry The Journal of Physical Chemistry A 106 (8), 1627-1633, 2002	113	2002

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