Hemant Kumar Srivastava

发表

Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case study

Tamar Ansbacher, Hemant Kumar Srivastava, Jan M. L. Martin, 2010, J. Comput. Chem..

Comparison of Computational Methods to Model DNA Minor Groove Binders

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

Benchmarking of different molecular docking methods for protein-peptide docking

Gajendra P. S. Raghava, Sandeep Singh, Piyush Agrawal, 2019, BMC Bioinformatics.

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..

Computational techniques for designing new lead molecules in the process of drug discovery

Suresh Kumar, Hemant Kumar Srivastava, Samiyara Begum, 2017 .

Analogue-based approaches in anti-cancer compound modelling: the relevance of QSAR models

Mohammed H Bohari, Hemant Kumar Srivastava, H. K. Srivastava, 2011, Organic and medicinal chemistry letters.

Evaluation of protein-ligand docking methods on peptide-ligand complexes for docking small ligands to peptides

Sandeep Singh, Piyush Agrawal, Hemant Kumar Srivastava, 2017, bioRxiv.

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..

Service Selection using Ethereum

Hemant Kumar Srivastava, Gaurav Baranwal, Ravi Yadav, 2021, 2021 IEEE International Black Sea Conference on Communications and Networking (BlackSeaCom).

Peptide-like and small-molecule inhibitors against Covid-19

Hemant Kumar Srivastava, H. K. Srivastava, U. Murty, 2020, Journal of biomolecular structure & dynamics.

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)).

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.

QSTR Study of Small Organic Molecules against Tetrahymena pyriformis

F. A. Pasha, Hemant Kumar Srivastava, P. P. Singh, 2005 .

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.

Atomic softness-based QSAR study of testosterone

F. A. Pasha, Hemant Kumar Srivastava, H. K. Srivastava, 2005 .

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 .

Quinazolinone linked pyrrolo[2,1-c][1,4]benzodiazepine (PBD) conjugates: Design, synthesis and biological evaluation as potential anticancer agents.

Hemant Kumar Srivastava, Farheen Sultana, Subrata Sen, 2010, Bioorganic & medicinal chemistry.