☰

Poonam Pandey - Publications

Affiliations: 
University of Maryland, College Park, College Park, MD 
Area:
Computational Chemistry
Tree Info Similar researchers PubMed Report error

7 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Kumar A, Pandey P, Chatterjee P, MacKerell AD. Deep Neural Network Model to Predict the Electrostatic Parameters in the Polarizable Classical Drude Oscillator Force Field. Journal of Chemical Theory and Computation. 18: 1711-1725. PMID 35148088 DOI: 10.1021/acs.jctc.1c01166  0.648
2021 Lind C, Pandey P, Pastor RW, MacKerell AD. Functional Group Distributions, Partition Coefficients, and Resistance Factors in Lipid Bilayers Using Site Identification by Ligand Competitive Saturation. Journal of Chemical Theory and Computation. 17: 3188-3202. PMID 33929848 DOI: 10.1021/acs.jctc.1c00089  0.681
2020 Lin FY, Huang J, Pandey P, Rupakheti C, Li J, Roux B, MacKerell AD. Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field. Journal of Chemical Theory and Computation. PMID 32282198 DOI: 10.1021/Acs.Jctc.0C00057  0.462
2019 Pandey P, Aytenfisu AH, MacKerell AD, Mallajosyula SS. Drude Polarizable Force Field Parametrization of Carboxylate and N-acetyl Amine Carbohydrate Derivatives. Journal of Chemical Theory and Computation. PMID 31411469 DOI: 10.1021/Acs.Jctc.9B00327  0.678
2019 Pandey P, Mallajosyula SS. Elucidating the role of key structural motifs in antifreeze glycoproteins. Physical Chemistry Chemical Physics : Pccp. PMID 30702099 DOI: 10.1039/C8Cp06743K  0.685
2018 Pandey P, Patel V, George NV, Mallajosyula SS. KELM-CPPpred: Kernel Extreme Learning Machine Based Prediction Model for Cell-Penetrating Peptides. Journal of Proteome Research. PMID 30032609 DOI: 10.1021/Acs.Jproteome.8B00322  0.664
2016 Pandey P, Mallajosyula SS. Influence of Polarization on Carbohydrate Hydration: A Comparative Study Using Additive and Polarizable Force Fields. The Journal of Physical Chemistry. B. PMID 27266974 DOI: 10.1021/Acs.Jpcb.6B05546  0.686
Show low-probability matches.