Navneet Bung

发表

Human hydroxymethylbilane synthase: Molecular dynamics of the pyrrole chain elongation identifies step-specific residues that cause AIP

Gopalakrishnan Bulusu, R. Desnick, M. New, 2018, Proceedings of the National Academy of Sciences.

Network analysis of hydroxymethylbilane synthase dynamics.

Gopalakrishnan Bulusu, Navneet Bung, Arijit Roy, 2020, Journal of Molecular Graphics and Modelling.

De Novo Design of New Chemical Entities (NCEs) for SARS-CoV-2 Using Artificial Intelligence

Sowmya Ramaswamy Krishnan, Gopalakrishnan Bulusu, Navneet Bung, 2020 .

Computational modeling of the catalytic mechanism of hydroxymethylbilane synthase.

Gopalakrishnan Bulusu, U. D. Priyakumar, Navneet Bung, 2019, Physical chemistry chemical physics : PCCP.

An In Silico Explainable Multiparameter Optimization Approach for De Novo Drug Design against Proteins from the Central Nervous System

Sowmya Ramaswamy Krishnan, Navneet Bung, Arijit Roy, 2022, J. Chem. Inf. Model..

New Potential Drug Candidates Against SARS-CoV-2 Using Generative Model

Sowmya Ramaswamy Krishnan, Navneet Bung, Arijit, 2020 .

Novel Potential Inhibitors Against SARS-CoV-2 Using Artificial Intelligence

Sowmya Ramaswamy Krishnan, Navneet Bung, Arijit, 2020 .

An explainable multi-parameter optimization approach for de novo drug design against proteins from central nervous system

Sowmya Ramaswamy Krishnan, Navneet Bung, Arijit Roy, 2022 .

Sonochemical synthesis and biological evaluation of isoquinolin-1(2H)-one/isoindolin-1-one derivatives: Discovery of a positive ago-allosteric modulator (PAAM) of 5HT2CR.

Gopalakrishnan Bulusu, M. Pal, P. Yadav, 2022, Bioorganic chemistry.

TPP riboswitch aptamer: Role of Mg2+ ions, ligand unbinding, and allostery.

Gopalakrishnan Bulusu, Navneet Bung, Arijit Roy, 2019, Journal of molecular graphics & modelling.

Elucidation of an essential function of the unique charged domain of Plasmodium topoisomerase III.

Gopalakrishnan Bulusu, Navneet Bung, Arijit Roy, 2020, The Biochemical journal.

A novel SIRT1 inhibitor, 4bb induces apoptosis in HCT116 human colon carcinoma cells partially by activating p53.

Gopalakrishnan Bulusu, M. Pal, A. Nakhi, 2017, Biochemical and biophysical research communications.

2-[2-(4-(trifluoromethyl)phenylamino)thiazol-4-yl]acetic acid (Activator-3) is a potent activator of AMPK

Gopalakrishnan Bulusu, K. Parsa, S. Seshadri, 2018, Scientific Reports.

De Novo Structure-Based Drug Design Using Deep Learning

Sowmya Ramaswamy Krishnan, Gopalakrishnan Bulusu, Rajgopal Srinivasan, 2021, J. Chem. Inf. Model..

Structural Insights into E. coli Porphobilinogen Deaminase during Synthesis and Exit of 1-Hydroxymethylbilane

Harini Srinivasan, Gopalakrishnan Bulusu, Meenakshi Pradhan, 2014, PLoS Comput. Biol..

Computational investigation of the effect of thermal perturbation on the mechanical unfolding of titin I27

U Deva Priyakumar, Navneet Bung, U. D. Priyakumar, 2012, Journal of Molecular Modeling.

De novo design of new chemical entities for SARS-CoV-2 using artificial intelligence

Sowmya Ramaswamy Krishnan, Gopalakrishnan Bulusu, Navneet Bung, 2021, Future medicinal chemistry.

An interpretable machine learning model for selectivity of small molecules against homologous protein family.

Sowmya Ramaswamy Krishnan, Navneet Bung, Arijit Roy, 2022, Future medicinal chemistry.

Accelerating De Novo Drug Design against Novel Proteins Using Deep Learning

Sowmya Ramaswamy Krishnan, Gopalakrishnan Bulusu, Arijit Roy, 2021, J. Chem. Inf. Model..

2-[2-(4-(trifluoromethyl)phenylamino)thiazol-4-yl]acetic acid (Activator-3) is a potent activator of AMPK

Gopalakrishnan Bulusu, K. Parsa, S. Seshadri, 2018, Scientific Reports.

De novo design of small molecules against drug targets of central nervous system using multi-property optimization

Sowmya Ramaswamy Krishnan, Navneet Bung, Arijit Roy, 2020 .

New Potential Drug Candidates Against SARS-CoV-2 Using Generative Model

Sowmya Ramaswamy Krishnan, Navneet Bung, Arijit, 2020 .

Human hydroxymethylbilane synthase: Molecular dynamics of the pyrrole chain elongation identifies step-specific residues that cause AIP

Gopalakrishnan Bulusu, R. Desnick, M. New, 2018, Proceedings of the National Academy of Sciences.