A. Chakravorty

发表

Modeling Electrostatic Force in Protein-Protein Recognition

E. Alexov, Mihiri Shashikala Hewa Bosthanthirige, A. Chakravorty, 2019, Front. Mol. Biosci..

Modeling Electrostatic Force in Protein-Protein Recognition

E. Alexov, A. Chakravorty, H. B. M. Shashikala, 2019, Frontiers in molecular biosciences.

Reproducing the Ensemble Average Polar Solvation Energy of a Protein from a Single Structure: Gaussian-Based Smooth Dielectric Function for Macromolecular Modeling.

Lin Li, E. Alexov, Zhe Jia, 2018, Journal of chemical theory and computation.

Routes of Synthesis and Characterizations of Nanoparticles

Moharana Choudhury, S. S. Sana, Vimala Raghavan, 2021 .

Retracted: Advances in chitosan biopolymer composite materials: from bioengineering, wastewater treatment to agricultural applications

P. Sonar, S. Selvaraj, V. Paramasivam, 2022, Materials Research Express.

A New DelPhi Feature for Modeling Electrostatic Potential around Proteins: Role of Bound Ions and Implications for Zeta-Potential.

Lin Li, E. Alexov, Zhe Jia, 2017, Langmuir : the ACS journal of surfaces and colloids.

Current Trends and Future Perspectives of Nanomaterials in Food Packaging Application

P. Sonar, S. Selvaraj, V. Paramasivam, 2022, Journal of Nanomaterials.

The HRP3 PWWP domain recognizes the minor groove of double-stranded DNA and recruits HRP3 to chromatin

Zhanxin Wang, Robert Liefke, Q. Xi, 2019, Nucleic acids research.

Gaussian-Based Smooth Dielectric Function: A Surface-Free Approach for Modeling Macromolecular Binding in Solvents

E. Alexov, Yunhui Peng, Zhe Jia, 2018, Front. Mol. Biosci..

Total free energy analysis of fully hydrated proteins

Richard H. Henchman, J. Warwicker, A. Chakravorty, 2022, Proteins.

Recycle Strategies to Deal with Metal Nanomaterials by Using Aquatic Plants Through Phytoremediation Technique

Moharana Choudhury, N. Lala, R. Rayan, 2021 .

Biogenic Green Synthesis of Nanoparticles from Living sources with Special Emphasis on Their Biomedical Applications

Arghya Chakravorty, Tanima Bhattacharya, Anima Nanda, 2021 .

Synthesis and characterisation of starch/agar nanocomposite films for food packaging application.

A. Grace, Vimala Raghavan, A. Chakravorty, 2020, IET nanobiotechnology.

A review on toxicity of turmeric derived Nano-Formulates against bacterial and fungal cells with special emphasis on electrospun nanofibers

S. Ramakrishna, N. Lala, R. Rayan, 2020 .

Climate change: impact on waterborne infectious diseases

Moharana Choudhury, R. Rayan, A. Chakravorty, 2021 .

The Role of Plant-Mediated Biosynthesised Nanoparticles in Agriculture

Aarif Ali, A. Chakravorty, G. A. Rather, 2021, Sustainable Agriculture.

Toxicity and Risk Assessment of Nanomaterials

M. Y. Bhat, Anima Nanda, A. Chakravorty, 2021, Sample Preparation with Nanomaterials.

Nano Approach

N. Abhishek, Anima Nanda, S. S. Sana, 2020 .

The Word Cloud Analysis to Evaluate the Impact of COVID-19 on Environmental Professionals and Environmental Degree Holders: A PAN India Survey

Moharana Choudhury, A. Chakravorty, S. Goswami, 2021 .

Effects of microplastics and nanoplastics on marine environment and human health

N. Abhishek, S. S. Sana, L. Gangadhar, 2020, Environmental Science and Pollution Research.

Treating ion distribution with Gaussian‐based smooth dielectric function in DelPhi

Lin Li, Emil Alexov, Arghya Chakravorty, 2017, J. Comput. Chem..

Free Gangliosides Can Alter Amyloid-β Aggregation.

Bikash R. Sahoo, C. Brooks, A. Ramamoorthy, 2022, The journal of physical chemistry letters.

Entropy of Proteins Using Multiscale Cell Correlation

Arghya Chakravorty, Richard H. Henchman, Jonathan Higham, 2020, J. Chem. Inf. Model..

Physicochemical characterization of nanomaterials for production of biofuel and bioenergy

S. S. Sana, L. Gangadhar, A. Chakravorty, 2021 .

Energy–entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host–guest challenge

Richard H. Henchman, S. D. de Visser, H. S. Ali, 2021, Journal of Computer-Aided Molecular Design.

A grid‐based algorithm in conjunction with a gaussian‐based model of atoms for describing molecular geometry

Emil Alexov, Arghya Chakravorty, Emilio Gallicchio, 2019, J. Comput. Chem..

COVID-19: An Accelerator for Global Plastic Consumption and Its Implications

Moharana Choudhury, Utkarsh Chadha, P. Samanta, 2022, Journal of environmental and public health.

pyCHARMM: Embedding CHARMM Functionality in a Python Framework.

Xiaorong Liu, Josh Buckner, A. Chakravorty, 2023, Journal of chemical theory and computation.

DelPhi Suite: New Developments and Review of Functionalities

Emil Alexov, Mahesh Koirala, Arghya Chakravorty, 2019, J. Comput. Chem..

DelPhiForce web server: electrostatic forces and energy calculations and visualization

Lin Li, Emil Alexov, Arghya Chakravorty, 2017, Bioinform..

DelPhiForce, a tool for electrostatic force calculations: Applications to macromolecular binding

Lin Li, Emil Alexov, Arghya Chakravorty, 2017, J. Comput. Chem..

BION-2: Predicting Positions of Non-Specifically Bound Ions on Protein Surface by a Gaussian-Based Treatment of Electrostatics

Shailesh Kumar Panday, E. Alexov, A. Chakravorty, 2020, International journal of molecular sciences.

BION-2: Predicting Positions of Non-Specifically Bound ions on Protein Surface by a Gaussian-based Treatment of Electrostatic Environment

Mihiri H. B. Shashikala, E. Alexov, S. Pandey, 2020 .

Electrostatic component of binding energy: Interpreting predictions from poisson–boltzmann equation and modeling protocols

Lin Li, Emil Alexov, Arghya Chakravorty, 2016, J. Comput. Chem..

Reproducing ensemble averaged electrostatics with Super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes

Emil Alexov, Arghya Chakravorty, Shailesh Kumar Panday, 2019, Commun. Inf. Syst..

Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi

Shan Zhao, Emil Alexov, Arghya Chakravorty, 2020, J. Chem. Inf. Model..

Efforts and Challenges paved by India to confront of Corona Virus (COVID-19)

M. Khan, Umama Yezdani, A. Chakravorty, 2020 .

Microbiological Degradation of Organic Pollutants from Industrial Wastewater

S. Ramakrishna, Moharana Choudhury, N. Lala, 2021 .