Payal Chatterjee
Overview
Explore the profile of Payal Chatterjee including associated specialties, affiliations and a list of published articles.
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Articles
15
Citations
127
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0
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Recent Articles
1.
Olson K, Devereaux A, Chatterjee P, Saldana-Shumaker S, Shafer A, Plotkin A, et al.
Front Pharmacol
. 2023 Jul;
14:1230053.
PMID: 37469877
There is a major societal need for analgesics with less tolerance, dependence, and abuse liability. Preclinical rodent studies suggest that bifunctional ligands with both mu (MOPr) and delta (DOPr) opioid...
2.
Yu Y, Venable R, Thirman J, Chatterjee P, Kumar A, Pastor R, et al.
J Chem Theory Comput
. 2023 Apr;
19(9):2590-2605.
PMID: 37071552
Accurate empirical force fields of lipid molecules are a critical component of molecular dynamics simulation studies aimed at investigating properties of monolayers, bilayers, micelles, vesicles, and liposomes, as well as...
3.
Chatterjee P, Sengul M, Kumar A, MacKerell Jr A
J Chem Theory Comput
. 2022 Apr;
18(4):2388-2407.
PMID: 35362975
The outcomes of computational chemistry and biology research, including drug design, are significantly influenced by the underlying force field (FF) used in molecular simulations. While improved FF accuracy may be...
4.
Kumar A, Pandey P, Chatterjee P, MacKerell Jr A
J Chem Theory Comput
. 2022 Feb;
18(3):1711-1725.
PMID: 35148088
The Drude polarizable force field (FF) captures electronic polarization effects auxiliary Drude particles that are attached to non-hydrogen atoms, distinguishing it from commonly used additive FFs that rely on fixed...
5.
Kognole A, Lee J, Park S, Jo S, Chatterjee P, Lemkul J, et al.
J Comput Chem
. 2021 Dec;
43(5):359-375.
PMID: 34874077
Explicit treatment of electronic polarizability in empirical force fields (FFs) represents an extension over a traditional additive or pairwise FF and provides a more realistic model of the variations in...
6.
Heid E, Schmode S, Chatterjee P, MacKerell A, Schroder C
Phys Chem Chem Phys
. 2019 Aug;
21(32):17703-17710.
PMID: 31367711
The inclusion of explicit polarization in molecular dynamics simulation has gained increasing interest during the last several years. An understudied area is the role of polarizability in computer simulations of...
7.
Heid E, Fleck M, Chatterjee P, Schroder C, MacKerell Jr A
J Chem Theory Comput
. 2019 Feb;
15(4):2460-2469.
PMID: 30811193
The derivation of atomic polarizabilities for polarizable force field development has been a long-standing problem. Atomic polarizabilities were often refined manually starting from tabulated values, rendering an automated assignment of...
8.
Zhang H, Jiang W, Chatterjee P, Luo Y
J Chem Inf Model
. 2019 Feb;
59(5):2093-2102.
PMID: 30763080
Reversible covalent inhibitors have drawn increasing attention in drug design, as they are likely more potent than noncovalent inhibitors and less toxic than covalent inhibitors. Despite those advantages, the computational...
9.
Valdez Capuccino J, Chatterjee P, Garcia I, Botello-Smith W, Zhang H, Harris A, et al.
J Gen Physiol
. 2018 Dec;
151(3):328-341.
PMID: 30530766
A group of human mutations within the N-terminal (NT) domain of connexin 26 (Cx26) hemichannels produce aberrant channel activity, which gives rise to deafness and skin disorders, including keratitis-ichthyosis-deafness (KID)...
10.
Chatterjee P, Yadav M, Chauhan N, Huang Y, Luo Y
Curr Drug Discov Technol
. 2018 Sep;
17(3):263-271.
PMID: 30207221
Although the major role of Nrf2 has long been established as a transcription factor for providing cellular protection against oxidative stress, multiple pieces of research and reviews now claim exactly...