Maghesree Chakraborty

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 5

Top Topics

Molecularly Imprinted

Machine Learning

Top Venues

Chemical science

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

The Journal of chemical physics

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

Publications

Ziyue Yang, Maghesree Chakraborty, Andrew D White
Predicting chemical shifts with graph neural networks. Chemical science 12 (32) (2021)
Zhiheng Li, Geemi P Wellawatte, Maghesree Chakraborty, Heta A Gandhi, Chenliang Xu, Andrew D White
Graph neural network based coarse-grained mapping prediction. Chemical science 11 (35) (2020)
Dilnoza B Amirkulova, Maghesree Chakraborty, Andrew D White
Experimentally Consistent Simulation of Aβ21-30 Peptides with a Minimal NMR Bias. The journal of physical chemistry. B 124 (38) (2020)
Maghesree Chakraborty, Jinyu Xu, Andrew D White
Is preservation of symmetry necessary for coarse-graining? Physical chemistry chemical physics : PCCP 22 (26) (2020)
Maghesree Chakraborty, Chenliang Xu, Andrew D White
Encoding and selecting coarse-grain mapping operators with hierarchical graphs. The Journal of chemical physics 149 (13) (2018)