G Narahari Sastry

发表

FDA approved drugs complexed to their targets: evaluating pose prediction accuracy of docking protocols

Mohammed H Bohari, G Narahari Sastry, G. N. Sastry, 2012, Journal of Molecular Modeling.

Rational approaches towards lead optimization of kinase inhibitors: the issue of specificity.

G Narahari Sastry, Preethi Badrinarayan, G. N. Sastry, 2013, Current pharmaceutical design.

Virtual high throughput screening in new lead identification.

G Narahari Sastry, Preethi Badrinarayan, 2011, Combinatorial chemistry & high throughput screening.

Explicit solvent effect on cation-pi interactions: a first principle investigation.

Hendrik Zipse, G Narahari Sastry, J Srinivasa Rao, 2009, The journal of physical chemistry. B.

DSTHO: database of siRNAs targeted at human oncogenes: a statistical analysis.

G Narahari Sastry, G. N. Sastry, Ranjit Dash, 2006, International journal of biological macromolecules.

Effect of solvation on ion binding to imidazole and methylimidazole.

G Narahari Sastry, Bhaskar Sharma, G. N. Sastry, 2011, The journal of physical chemistry. A.

Comprehensive study on the solvation of mono- and divalent metal cations: Li+, Na+, K+, Be2+, Mg2+ and Ca2+.

Jerzy Leszczynski, G Narahari Sastry, G. N. Sastry, 2008, The journal of physical chemistry. A.

The efficacy of conceptual DFT descriptors and docking scores on the QSAR models of HIV protease inhibitors.

G Narahari Sastry, Hemant Kumar Srivastava, Chinmayee Choudhury, 2012, Medicinal chemistry (Shariqah (United Arab Emirates)).

Molecular modeling studies of pyridopurinone derivatives--potential phosphodiesterase 5 inhibitors.

G Narahari Sastry, G. N. Sastry, P. Srivani, 2007, Journal of molecular graphics & modelling.

Cation [M = H+, Li+, Na+, K+, Ca2+, Mg2+, NH4+, and NMe4+] interactions with the aromatic motifs of naturally occurring amino acids: a theoretical study.

G Narahari Sastry, G. N. Sastry, A Srinivas Reddy, 2005, The journal of physical chemistry. A.

On the cooperativity of cation-pi and hydrogen bonding interactions.

Hendrik Zipse, Dolly Vijay, G Narahari Sastry, 2008, The journal of physical chemistry. B.

Modeling anti-HIV compounds: the role of analogue-based approaches.

Mohammed H Bohari, G Narahari Sastry, Hemant Kumar Srivastava, 2012, Current computer-aided drug design.

A theoretical study on structural, spectroscopic and energetic properties of acetamide clusters [CH3CONH2] (n=1-15).

G Narahari Sastry, G. N. Sastry, A. Mahadevi, 2011, Physical chemistry chemical physics : PCCP.

Cooperative or Anticooperative: How Noncovalent Interactions Influence Each Other.

G Narahari Sastry, Soumen Saha, G. N. Sastry, 2015, The journal of physical chemistry. B.

Ab initio investigation of benzene clusters: molecular tailoring approach.

G Narahari Sastry, Anuja P. Rahalkar, Shridhar R Gadre, 2010, The Journal of chemical physics.

A theoretical study on interaction of cyclopentadienyl ligand with alkali and alkaline earth metals.

G Narahari Sastry, A Subha Mahadevi, 2011, The journal of physical chemistry. B.

Efficient estimation of MMGBSA-based BEs for DNA and aromatic furan amidino derivatives

G Narahari Sastry, Hemant Kumar Srivastava, H. K. Srivastava, 2013, Journal of biomolecular structure & dynamics.

Exploring the size dependence of cyclic and acyclic pi-systems on cation-pi binding.

Dolly Vijay, G Narahari Sastry, G. N. Sastry, 2008, Physical chemistry chemical physics : PCCP.

Structural and conformational changes concomitant with the E1-E2 transition in H(+)K(+)-ATPase: a comparative protein modeling study.

G Narahari Sastry, U. Murty, G. N. Sastry, 2004, Biochemical and biophysical research communications.

The significance of the alkene size and the nature of the metal ion in metal-alkene complexes: a theoretical study.

Dolly Vijay, G Narahari Sastry, G. N. Sastry, 2012, Dalton transactions.

Cation-pi interactions of bare and coordinatively saturated metal ions: contrasting structural and energetic characteristics.

Hendrik Zipse, G Narahari Sastry, G. N. Sastry, 2007, The journal of physical chemistry. B.

Cation–aromatic database

G Narahari Sastry, G. N. Sastry, A Srinivas Reddy, 2007, Proteins.

Molecular dynamics investigation of the active site dynamics of mycobacterial cyclopropane synthase during various stages of the cyclopropanation process.

G Narahari Sastry, Chinmayee Choudhury, C. Choudhury, 2014, Journal of structural biology.

Hydrogen bonding in water clusters and their ionized counterparts.

G Narahari Sastry, G. N. Sastry, A. Mahadevi, 2010, The journal of physical chemistry. B.