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For: Lee Y, Lazim R, Macalino SJY, Choi S. Importance of protein dynamics in the structure-based drug discovery of class A G protein-coupled receptors (GPCRs). Curr Opin Struct Biol 2019;55:147-53. [PMID: 31102980 DOI: 10.1016/j.sbi.2019.03.015] [Cited by in Crossref: 28] [Cited by in F6Publishing: 29] [Article Influence: 9.3] [Reference Citation Analysis]
Number Citing Articles
1 Catte A, Biswas AD, Mancini G, Barone V. L-DOPA and Droxidopa: From Force Field Development to Molecular Docking into Human β2-Adrenergic Receptor. Life 2022;12:1393. [DOI: 10.3390/life12091393] [Reference Citation Analysis]
2 Shiriaeva A, Park D, Kim G, Lee Y, Hou X, Jarhad DB, Kim G, Yu J, Hyun YE, Kim W, Gao ZG, Jacobson KA, Han GW, Stevens RC, Jeong LS, Choi S, Cherezov V. GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A2A Adenosine Receptor. J Med Chem 2022. [PMID: 35977382 DOI: 10.1021/acs.jmedchem.2c00462] [Cited by in F6Publishing: 1] [Reference Citation Analysis]
3 Wingert B, Doruker P, Bahar I. Activation and Speciation Mechanisms in Class A GPCRs. J Mol Biol 2022;:167690. [PMID: 35728652 DOI: 10.1016/j.jmb.2022.167690] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
4 Huang Y, Reddy K, Bracken C, Zhang W, Eliezer D, Boudker O. An environmentally ultrasensitive 19F NMR probe for monitoring protein conformational equilibria.. [DOI: 10.1101/2022.03.29.486269] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
5 Li C, Liu J, Chen J, Yuan Y, Yu J, Gou Q, Guo Y, Pu X. An Interpretable Convolutional Neural Network Framework for Analyzing Molecular Dynamics Trajectories: a Case Study on Functional States for G-Protein-Coupled Receptors. J Chem Inf Model 2022. [PMID: 35257580 DOI: 10.1021/acs.jcim.2c00085] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
6 Nakai H, Isshiki K, Hattori M, Maehira H, Yamaguchi T, Masuda K, Shimizu Y, Watanabe T, Hohsaka T, Shihoya W, Nureki O, Kato Y, Watanabe H, Matsuura T. Cell-Free Synthesis of Human Endothelin Receptors and Its Application to Ribosome Display. Anal Chem 2022. [PMID: 35188389 DOI: 10.1021/acs.analchem.1c04714] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
7 Biswas AD, Catte A, Mancini G, Barone V. Analysis of L-DOPA and droxidopa binding to human β2-adrenergic receptor. Biophys J 2021;120:5631-43. [PMID: 34767786 DOI: 10.1016/j.bpj.2021.11.007] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
8 Rosário-Ferreira N, Marques-Pereira C, Gouveia RP, Mourão J, Moreira IS. Guardians of the Cell: State-of-the-Art of Membrane Proteins from a Computational Point-of-View. Methods Mol Biol 2021;2315:3-28. [PMID: 34302667 DOI: 10.1007/978-1-0716-1468-6_1] [Reference Citation Analysis]
9 Williams JK, Wang B, Sam A, Hoop CL, Case DA, Baum J. Molecular dynamics analysis of a flexible loop at the binding interface of the SARS-CoV-2 spike protein receptor-binding domain. Proteins 2021. [PMID: 34375467 DOI: 10.1002/prot.26208] [Cited by in Crossref: 8] [Cited by in F6Publishing: 11] [Article Influence: 8.0] [Reference Citation Analysis]
10 Taguchi Y, Turki T. Novel method for the prediction of drug-drug Interaction based on gene expression profiles. European Journal of Pharmaceutical Sciences 2021;160:105742. [DOI: 10.1016/j.ejps.2021.105742] [Cited by in Crossref: 2] [Cited by in F6Publishing: 2] [Article Influence: 2.0] [Reference Citation Analysis]
11 Lazim R, Suh D, Lee JW, Vu TNL, Yoon S, Choi S. Structural Characterization of Receptor-Receptor Interactions in the Allosteric Modulation of G Protein-Coupled Receptor (GPCR) Dimers. Int J Mol Sci 2021;22:3241. [PMID: 33810175 DOI: 10.3390/ijms22063241] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
12 Zhu S, Wu M, Huang Z, An J. Trends in application of advancing computational approaches in GPCR ligand discovery. Exp Biol Med (Maywood) 2021;246:1011-24. [PMID: 33641446 DOI: 10.1177/1535370221993422] [Cited by in Crossref: 2] [Cited by in F6Publishing: 2] [Article Influence: 2.0] [Reference Citation Analysis]
13 Römer RA, Römer NS, Wallis AK. Flexibility and mobility of SARS-CoV-2-related protein structures. Sci Rep 2021;11:4257. [PMID: 33608565 DOI: 10.1038/s41598-021-82849-2] [Cited by in Crossref: 9] [Cited by in F6Publishing: 10] [Article Influence: 9.0] [Reference Citation Analysis]
14 Gupta P, Liang Z, Freed JH. Microsecond dynamics in proteins by two-dimensional ESR: Predictions. J Chem Phys 2020;152:214112. [PMID: 32505151 DOI: 10.1063/5.0008094] [Cited by in Crossref: 3] [Cited by in F6Publishing: 3] [Article Influence: 3.0] [Reference Citation Analysis]
15 Williams JK, Wang B, Sam A, Hoop CL, Case DA, Baum J. Molecular Dynamics Analysis of a Flexible Loop at the Binding Interface of the SARS-CoV-2 Spike Protein Receptor-Binding Domain.. [DOI: 10.1101/2021.01.08.425965] [Cited by in Crossref: 4] [Cited by in F6Publishing: 4] [Article Influence: 4.0] [Reference Citation Analysis]
16 Yang D, Zhou Q, Labroska V, Qin S, Darbalaei S, Wu Y, Yuliantie E, Xie L, Tao H, Cheng J, Liu Q, Zhao S, Shui W, Jiang Y, Wang MW. G protein-coupled receptors: structure- and function-based drug discovery. Signal Transduct Target Ther 2021;6:7. [PMID: 33414387 DOI: 10.1038/s41392-020-00435-w] [Cited by in Crossref: 70] [Cited by in F6Publishing: 79] [Article Influence: 70.0] [Reference Citation Analysis]
17 Michael D, Bankoti N, Biswas A, Sekar K. Aspects of Protein Structure, Function, and Dynamics in Rational Drug Designing. Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design 2021. [DOI: 10.1007/978-981-15-8936-2_3] [Reference Citation Analysis]
18 Thorat SA, Lee Y, Jung A, Ann J, Ahn S, Baek J, Zuo D, Do N, Jeong JJ, Blumberg PM, Esch TE, Turcios NA, Pearce LV, Ha HJ, Yoo YD, Hong S, Choi S, Lee J. Discovery of Benzopyridone-Based Transient Receptor Potential Vanilloid 1 Agonists and Antagonists and the Structural Elucidation of Their Activity Shift. J Med Chem 2021;64:370-84. [PMID: 33385210 DOI: 10.1021/acs.jmedchem.0c00982] [Cited by in Crossref: 4] [Cited by in F6Publishing: 5] [Article Influence: 4.0] [Reference Citation Analysis]
19 Renault P, Giraldo J. Dynamical Correlations Reveal Allosteric Sites in G Protein-Coupled Receptors. Int J Mol Sci 2020;22:E187. [PMID: 33375427 DOI: 10.3390/ijms22010187] [Cited by in Crossref: 2] [Cited by in F6Publishing: 2] [Article Influence: 1.0] [Reference Citation Analysis]
20 Bruzzese A, Dalton JAR, Giraldo J. Statistics for the analysis of molecular dynamics simulations: providing P values for agonist-dependent GPCR activation. Sci Rep 2020;10:19942. [PMID: 33203907 DOI: 10.1038/s41598-020-77072-4] [Cited by in Crossref: 4] [Cited by in F6Publishing: 4] [Article Influence: 2.0] [Reference Citation Analysis]
21 Lazaratos M, Karathanou K, Bondar A. Graphs of dynamic H-bond networks: from model proteins to protein complexes in cell signaling. Current Opinion in Structural Biology 2020;64:79-87. [DOI: 10.1016/j.sbi.2020.06.006] [Cited by in Crossref: 12] [Cited by in F6Publishing: 10] [Article Influence: 6.0] [Reference Citation Analysis]
22 Ombrato R, Console L, Righino B, Indiveri C, Arduini A, De Rosa MC. Structure-based virtual screening to identify novel carnitine acetyltransferase activators. J Mol Graph Model 2020;100:107692. [PMID: 32759041 DOI: 10.1016/j.jmgm.2020.107692] [Cited by in Crossref: 3] [Cited by in F6Publishing: 3] [Article Influence: 1.5] [Reference Citation Analysis]
23 Römer RA, Römer NS, Wallis AK. Flexibility and mobility of SARS-CoV-2-related protein structures.. [DOI: 10.1101/2020.07.12.199364] [Reference Citation Analysis]
24 Salmaso V, Jacobson KA. In Silico Drug Design for Purinergic GPCRs: Overview on Molecular Dynamics Applied to Adenosine and P2Y Receptors. Biomolecules 2020;10:E812. [PMID: 32466404 DOI: 10.3390/biom10060812] [Cited by in Crossref: 8] [Cited by in F6Publishing: 8] [Article Influence: 4.0] [Reference Citation Analysis]
25 Taguchi Y, Turki T. Novel method for the prediction of drug-drug Interaction based on Gene Expression profiles.. [DOI: 10.1101/2020.05.13.092718] [Reference Citation Analysis]
26 Nakliang P, Lazim R, Chang H, Choi S. Multiscale Molecular Modeling in G Protein-Coupled Receptor (GPCR)-Ligand Studies. Biomolecules 2020;10:E631. [PMID: 32325877 DOI: 10.3390/biom10040631] [Cited by in Crossref: 6] [Cited by in F6Publishing: 7] [Article Influence: 3.0] [Reference Citation Analysis]
27 Zou Y, Ewalt J, Ng HL. Recent Insights from Molecular Dynamics Simulations for G Protein-Coupled Receptor Drug Discovery. Int J Mol Sci 2019;20:E4237. [PMID: 31470676 DOI: 10.3390/ijms20174237] [Cited by in Crossref: 13] [Cited by in F6Publishing: 12] [Article Influence: 4.3] [Reference Citation Analysis]
28 Ranganathan S, Blundell TL. Editorial overview: Theory and simulation: demystifying GPCRs – structure, function and drug design. Current Opinion in Structural Biology 2019;55:vi-viii. [DOI: 10.1016/j.sbi.2019.07.004] [Reference Citation Analysis]