G. Narahari Sastry

发表

A computational investigation and the conformational analysis of dimers, anions, cations, and zwitterions of L‐phenylalanine

Uppula Purushotham, Dolly Vijay, G. Narahari Sastry, 2012, J. Comput. Chem..

A comprehensive conformational analysis of tryptophan, its ionic and dimeric forms

Uppula Purushotham, G. Narahari Sastry, G. N. Sastry, 2014, J. Comput. Chem..

Dynamics Based Pharmacophore Models for Screening Potential Inhibitors of Mycobacterial Cyclopropane Synthase

U. Deva Priyakumar, G. Narahari Sastry, Chinmayee Choudhury, 2015, J. Chem. Inf. Model..

Strategies to design pyrazolyl urea derivatives for p38 kinase inhibition: a molecular modeling study

G. Narahari Sastry, Ravindra G. Kulkarni, Palukuri Srivani, 2007, J. Comput. Aided Mol. Des..

Molecular property diagnostic suite for diabetes mellitus (MPDSDM): An integrated web portal for drug discovery and drug repurposing

Vladimir Poroikov, G. Narahari Sastry, Karunakar Tanneeru, 2018, J. Biomed. Informatics.

Local and Global Intrinsic Dimensionality Estimation for Better Chemical Space Representation

S. Durga Bhavani, Raju S. Bapi, T. Sobha Rani, 2011, MIWAI.

Comparison of Computational Methods to Model DNA Minor Groove Binders

G. Narahari Sastry, Devesh Kumar, Hemant Kumar Srivastava, 2011, J. Chem. Inf. Model..

Sequence, Structure, and Active Site Analyses of p38 MAP Kinase: Exploiting DFG-out Conformation as a Strategy to Design New Type II Leads

G. Narahari Sastry, Preethi Badrinarayan, G. N. Sastry, 2011, J. Chem. Inf. Model..

Buckybowls as adsorbents for CO2, CH4, and C2H2: Binding and structural insights from computational study

Dolly Vijay, G. Narahari Sastry, M. Althaf Hussain, 2016, J. Comput. Chem..

Active site acidic residues and structural analysis of modelled human aromatase: A potential drug target for breast cancer

G. Madhavi Sastry, G. Narahari Sastry, J. Narashima Murthy, 2006, J. Comput. Aided Mol. Des..

Correlating Binding Site Residues of the Protein and Ligand Features to Its Functionality

S. Durga Bhavani, Raju S. Bapi, T. Sobha Rani, 2011, SEMCCO.

Energy decomposition analysis of cation–π, metal ion–lone pair, hydrogen bonded, charge‐assisted hydrogen bonded, and π–π interactions

G. Narahari Sastry, Hemant Kumar Srivastava, Bhaskar Sharma, 2015, J. Comput. Chem..

Towards design of the smallest planar tetracoordinate carbon and boron systems

G. Narahari Sastry, B. Sateesh, A. Srinivas Reddy, 2007, J. Comput. Chem..

Protein ligand interaction database (PLID)

Raju S. Bapi, G. Madhavi Sastry, G. Narahari Sastry, 2008, Comput. Biol. Chem..

Homology modeling of membrane proteins: A critical assessment

G. Madhavi Sastry, G. Narahari Sastry, E. Srinivas, 2006, Comput. Biol. Chem..

Structures and energetics of complexation of metal ions with ammonia, water, and benzene: A computational study

G. Narahari Sastry, Bhaskar Sharma, Y. Indra Neela, 2016, J. Comput. Chem..

Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches

G. Narahari Sastry, Hemant Kumar Srivastava, H. K. Srivastava, 2012, J. Chem. Inf. Model..

Reply to “Comment on ‘From Subtle to Substantial: Role of Metal Ions on π−π Interactions'”

G. Madhavi Sastry, Dolly Vijay, G. Narahari Sastry, 2006 .

Comprehensive theoretical study towards the accurate proton affinity values of naturally occurring amino acids

Jerzy Leszczynski, G. Narahari Sastry, Tandabany C. Dinadayalane, 2006 .

The impact of basis set superposition error on the structure of ππ dimers

Dolly Vijay, G. Narahari Sastry, Hidehiro Sakurai, 2011 .

Analyzing coordination preferences of Mg2+ complexes: insights from computational and database study

G. Narahari Sastry, Y. Indra Neela, G. N. Sastry, 2013, Structural Chemistry.

A Computational Study on π and σ Modes of Metal Ion Binding to Heteroaromatics (CH)5-mXmand (CH)6-mXm(X = N and P): Contrasting Preferences Between Nitrogen- and Phosphorous-Substituted Rings†

Dolly Vijay, G. Narahari Sastry, G. N. Sastry, 2006 .

First principles study and database analyses of structural preferences for sodium ion (Na+) solvation and coordination

G. Narahari Sastry, Y. Indra Neela, G. N. Sastry, 2013, Structural Chemistry.

From subtle to substantial : Role of metal ions on π-π interactions

G. Madhavi Sastry, Dolly Vijay, G. Narahari Sastry, 2006 .

Structural and Energetic Preferences of π, σ, and Bidentate Cation Binding (Li+, Na+, and Mg2+) to Aromatic Amines

G. Narahari Sastry, J. Srinivasa Rao, 2009 .

The cooperativity of cation–π and π–π interactions

Dolly Vijay, G. Narahari Sastry, G. N. Sastry, 2010 .

Modulation of hydrogen bonding upon ion binding: Insights into cooperativity

G. Narahari Sastry, G. N. Sastry, A. Mahadevi, 2014 .

Understanding the structural requirements of triarylethane analogues towards PDE-IV inhibitors : A molecular modeling study

G. Narahari Sastry, P. Srivani, K. Kiran, 2006 .

Synthesis of bis-1,2,3-triazolo-bridged unsymmetrical pyrrolobenzodiazepine trimers via ‘click’ chemistry and their DNA-binding studies

Ahmed Kamal, G. Narahari Sastry, Hemant Kumar Srivastava, 2010 .