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Analysis of protein-protein interface with incorporating low-frequency molecular interactions in molecular dynamics simulation.
J Mol Graph Model. 2023 Jul;122:108461. doi: 10.1016/j.jmgm.2023.108461. Epub 2023 Mar 23.
J Mol Graph Model. 2023.
PMID: 37012187
Combinatorial Effect of Ligand and Ligand-Binding Site Hydrophobicities on Binding Affinity.
Sriramulu DK, Lee SG.
Sriramulu DK, et al.
J Chem Inf Model. 2020 Mar 23;60(3):1678-1684. doi: 10.1021/acs.jcim.9b01143. Epub 2020 Feb 28.
J Chem Inf Model. 2020.
PMID: 32108477
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Effect of molecular properties of the protein-ligand complex on the prediction accuracy of AutoDock.
Sriramulu DK, Lee SG.
Sriramulu DK, et al.
J Mol Graph Model. 2021 Jul;106:107921. doi: 10.1016/j.jmgm.2021.107921. Epub 2021 Apr 13.
J Mol Graph Model. 2021.
PMID: 33887523
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Residue interaction network and molecular dynamics simulation study on the binding of S239D/I332E Fc variant with enhanced affinity to FcγRIIIa receptor.
Jebamani P, Sriramulu DK, Lee SG.
Jebamani P, et al. Among authors: sriramulu dk.
J Mol Graph Model. 2023 Jan;118:108327. doi: 10.1016/j.jmgm.2022.108327. Epub 2022 Sep 13.
J Mol Graph Model. 2023.
PMID: 36155127
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Ecdysteroids from the Korean Endemic Species Ajuga spectabilis with Activities against Glucocorticoid Receptors and 11β-Hydroxysteroid Dehydrogenase Type 1.
Park I, Park K, Lee HS, Hong SM, Sriramulu DK, Hwang H, Song S, Baek JG, Kim DH, Kim SY, Kwon J, Kwon HC.
Park I, et al. Among authors: sriramulu dk.
ACS Omega. 2023 Jul 13;8(29):26191-26200. doi: 10.1021/acsomega.3c02421. eCollection 2023 Jul 25.
ACS Omega. 2023.
PMID: 37521666
Free PMC article.
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