Sanket A Deshmukh (Sanket Deshmukh)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 20

Top Topics

Machine Learning

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

The journal of physical chemistry. B

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Abhishek T Sose, Troy Gustke, Fangxi Wang, Gaurav Anand, Sanjana Pasupuleti, Aditya A Savara, Sanket A Deshmukh
Evaluation of Sampling Algorithms Used for Bayesian Uncertainty Quantification of Molecular Dynamics Force Fields. Journal of chemical theory and computation (2024)
Abhishek T Sose, Troy Gustke, Fangxi Wang, Gaurav Anand, Sanjana Pasupuleti, Aditya A Savara, Sanket A Deshmukh
Evaluation of Sampling Algorithms Used for Bayesian Uncertainty Quantification of Molecular Dynamics Force Fields. Journal of chemical theory and computation 20 (13) (2024)
Abhishek T Sose, Troy Gustke, Fangxi Wang, Gaurav Anand, Sanjana Pasupuleti, Aditya A Savara, Sanket A Deshmukh
Evaluation of Sampling Algorithms Used for Bayesian Uncertainty Quantification of Molecular Dynamics Force Fields. Journal of chemical theory and computation 20 (13) (2024)
Abhishek T Sose, Troy Gustke, Fangxi Wang, Gaurav Anand, Sanjana Pasupuleti, Aditya A Savara, Sanket A Deshmukh
Evaluation of Sampling Algorithms Used for Bayesian Uncertainty Quantification of Molecular Dynamics Force Fields. Journal of chemical theory and computation 20 (13) (2024)
Zhao Li, Soumil Y Joshi, Yin Wang, Sanket A Deshmukh, John B Matson
Supramolecular Peptide Nanostructures Regulate Catalytic Efficiency and Selectivity. Angewandte Chemie (International ed. in English) (2023)
Samrendra K Singh, Abhishek T Sose, Fangxi Wang, Karteek K Bejagam, Sanket A Deshmukh
Data Driven Discovery of MOFs for Hydrogen Gas Adsorption. Journal of chemical theory and computation (2023)
Abhishek T Sose, Soumil Y Joshi, Lakshmi Kumar Kunche, Fangxi Wang, Sanket A Deshmukh
A review of recent advances and applications of machine learning in tribology. Physical chemistry chemical physics : PCCP (2023)
Thi Kim Hoang Trinh, Andres Jorge Cabezas, Soumil Joshi, Claudio Catalano, Abu Bakkar Siddique, Weihua Qiu, Sanket A Deshmukh, Amédée Des Georges, Youzhong Guo
pH-tunable membrane-active polymers, NCMNP2a- x , and their potential membrane protein applications. Chemical science 14 (26) (2023)
Abhishek T Sose, Soumil Y Joshi, Lakshmi Kumar Kunche, Fangxi Wang, Sanket A Deshmukh
A review of recent advances and applications of machine learning in tribology. Physical chemistry chemical physics : PCCP 25 (6) (2023)
Samrendra K Singh, Kelsie M King, Cole Gannett, Christina Chuong, Soumil Y Joshi, Charles Plate, Parisa Farzeen, Emily M Webb, Lakshmi Kumar Kunche, James Weger-Lucarelli, Andrew N Lowell, Anne M Brown, Sanket A Deshmukh
Data Driven Computational Design and Experimental Validation of Drugs for Accelerated Mitigation of Pandemic-like Scenarios. The journal of physical chemistry letters (2023)
Esmat Mohammadi, Soumil Y Joshi, Sanket A Deshmukh
Development, Validation, and Applications of Nonbonded Interaction Parameters between Coarse-Grained Amino Acid and Water Models. Biomacromolecules (2023)
Abhishek T Sose, Hannah D Cornell, Bradley J Gibbons, Ashley A Burris, Amanda J Morris, Sanket A Deshmukh
Modelling drug adsorption in metal-organic frameworks: the role of solvent. RSC advances 11 (28) (2021)
Yaxin An, Sanket A Deshmukh
Machine learning approach for accurate backmapping of coarse-grained models to all-atom models. Chemical communications (Cambridge, England) 56 (65) (2020)
Yaxin An, Karteek K Bejagam, Sanket A Deshmukh
Development of Transferable Nonbonded Interactions between Coarse-Grained Hydrocarbon and Water Models. The journal of physical chemistry. B 123 (4) (2019)
Samrendra K Singh, Karteek K Bejagam, Yaxin An, Sanket A Deshmukh
Machine-Learning Based Stacked Ensemble Model for Accurate Analysis of Molecular Dynamics Simulations. The journal of physical chemistry. A 123 (24) (2019)
Karteek K Bejagam, Samrendra Singh, Yaxin An, Carter Berry, Sanket A Deshmukh
PSO-Assisted Development of New Transferable Coarse-Grained Water Models. The journal of physical chemistry. B 122 (6) (2018)
Yaxin An, Karteek K Bejagam, Sanket A Deshmukh
Development of New Transferable Coarse-Grained Models of Hydrocarbons. The journal of physical chemistry. B 122 (28) (2018)
Karteek K Bejagam, Yaxin An, Samrendra Singh, Sanket A Deshmukh
Machine-Learning Enabled New Insights into the Coil-to-Globule Transition of Thermosensitive Polymers Using a Coarse-Grained Model. The journal of physical chemistry letters 9 (22) (2018)
Karteek K Bejagam, Samrendra Singh, Yaxin An, Sanket A Deshmukh
Machine-Learned Coarse-Grained Models. The journal of physical chemistry letters 9 (16) (2018)
Karteek K Bejagam, Samrendra Singh, Sanket A Deshmukh
Development of non-bonded interaction parameters between graphene and water using particle swarm optimization. Journal of computational chemistry 39 (12) (2017)