169 related articles for article (PubMed ID: 36998674)
1. Identifying promising druggable binding sites and their flexibility to target the receptor-binding domain of SARS-CoV-2 spike protein.
Ghoula M; Naceri S; Sitruk S; Flatters D; Moroy G; Camproux AC
Comput Struct Biotechnol J; 2023; 21():2339-2351. PubMed ID: 36998674
[TBL] [Abstract][Full Text] [Related]
2. Unlocking COVID therapeutic targets: A structure-based rationale against SARS-CoV-2, SARS-CoV and MERS-CoV Spike.
Trigueiro-Louro J; Correia V; Figueiredo-Nunes I; Gíria M; Rebelo-de-Andrade H
Comput Struct Biotechnol J; 2020; 18():2117-2131. PubMed ID: 32913581
[TBL] [Abstract][Full Text] [Related]
3. Molecular dynamics analysis of a flexible loop at the binding interface of the SARS-CoV-2 spike protein receptor-binding domain.
Williams JK; Wang B; Sam A; Hoop CL; Case DA; Baum J
Proteins; 2022 May; 90(5):1044-1053. PubMed ID: 34375467
[TBL] [Abstract][Full Text] [Related]
4. Modeling SARS-CoV-2 spike/ACE2 protein-protein interactions for predicting the binding affinity of new spike variants for ACE2, and novel ACE2 structurally related human protein targets, for COVID-19 handling in the 3PM context.
Tragni V; Preziusi F; Laera L; Onofrio A; Mercurio I; Todisco S; Volpicella M; De Grassi A; Pierri CL
EPMA J; 2022 Mar; 13(1):149-175. PubMed ID: 35013687
[TBL] [Abstract][Full Text] [Related]
5. Exploring Conformational Landscapes and Cryptic Binding Pockets in Distinct Functional States of the SARS-CoV-2 Omicron BA.1 and BA.2 Trimers: Mutation-Induced Modulation of Protein Dynamics and Network-Guided Prediction of Variant-Specific Allosteric Binding Sites.
Verkhivker G; Alshahrani M; Gupta G
Viruses; 2023 Sep; 15(10):. PubMed ID: 37896786
[TBL] [Abstract][Full Text] [Related]
6. Probing structural basis for enhanced binding of SARS-CoV-2 P.1 variant spike protein with the human ACE2 receptor.
Lata S; Akif M
J Cell Biochem; 2022 Jul; 123(7):1207-1221. PubMed ID: 35620980
[TBL] [Abstract][Full Text] [Related]
7. Mutational landscape and in silico structure models of SARS-CoV-2 spike receptor binding domain reveal key molecular determinants for virus-host interaction.
Nelson-Sathi S; Umasankar PK; Sreekumar E; Nair RR; Joseph I; Nori SRC; Philip JS; Prasad R; Navyasree KV; Ramesh S; Pillai H; Ghosh S; Santosh Kumar TR; Pillai MR
BMC Mol Cell Biol; 2022 Jan; 23(1):2. PubMed ID: 34991443
[TBL] [Abstract][Full Text] [Related]
8. Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants.
da Costa CHS; de Freitas CAB; Alves CN; Lameira J
Sci Rep; 2022 May; 12(1):8540. PubMed ID: 35595778
[TBL] [Abstract][Full Text] [Related]
9. Key residues of the receptor binding domain in the spike protein of SARS-CoV-2 mediating the interactions with ACE2: a molecular dynamics study.
Yang Y; Zhang Y; Qu Y; Zhang C; Liu XW; Zhao M; Mu Y; Li W
Nanoscale; 2021 May; 13(20):9364-9370. PubMed ID: 33999091
[TBL] [Abstract][Full Text] [Related]
10. Understanding the Driving Forces That Trigger Mutations in SARS-CoV-2: Mutational Energetics and the Role of Arginine Blockers in COVID-19 Therapy.
Ridgway H; Chasapis CT; Kelaidonis K; Ligielli I; Moore GJ; Gadanec LK; Zulli A; Apostolopoulos V; Mavromoustakos T; Matsoukas JM
Viruses; 2022 May; 14(5):. PubMed ID: 35632769
[TBL] [Abstract][Full Text] [Related]
11. Enhanced Binding of SARS-CoV-2 Spike Protein to Receptor by Distal Polybasic Cleavage Sites.
Qiao B; Olvera de la Cruz M
ACS Nano; 2020 Aug; 14(8):10616-10623. PubMed ID: 32806067
[TBL] [Abstract][Full Text] [Related]
12. Luteolin inhibits spike protein of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) binding to angiotensin-converting enzyme 2.
Zhu J; Yan H; Shi M; Zhang M; Lu J; Wang J; Chen L; Wang Y; Li L; Miao L; Zhang H
Phytother Res; 2023 Aug; 37(8):3508-3521. PubMed ID: 37166054
[TBL] [Abstract][Full Text] [Related]
13. Structural and simulation analysis of hotspot residues interactions of SARS-CoV 2 with human ACE2 receptor.
Veeramachaneni GK; Thunuguntla VBSC; Bobbillapati J; Bondili JS
J Biomol Struct Dyn; 2021 Jul; 39(11):4015-4025. PubMed ID: 32448098
[TBL] [Abstract][Full Text] [Related]
14. Atomistic insight into the essential binding event of ACE2-derived peptides to the SARS-CoV-2 spike protein.
Sarto C; Florez-Rueda S; Arrar M; Hackenberger CPR; Lauster D; Di Lella S
Biol Chem; 2022 Apr; 403(5-6):615-624. PubMed ID: 35357791
[TBL] [Abstract][Full Text] [Related]
15. Effect of mutation on structure, function and dynamics of receptor binding domain of human SARS-CoV-2 with host cell receptor ACE2: a molecular dynamics simulations study.
Dehury B; Raina V; Misra N; Suar M
J Biomol Struct Dyn; 2021 Nov; 39(18):7231-7245. PubMed ID: 32762417
[TBL] [Abstract][Full Text] [Related]
16. Interactions of angiotensin-converting enzyme-2 (ACE2) and SARS-CoV-2 spike receptor-binding domain (RBD): a structural perspective.
Borkotoky S; Dey D; Hazarika Z
Mol Biol Rep; 2023 Mar; 50(3):2713-2721. PubMed ID: 36562937
[TBL] [Abstract][Full Text] [Related]
17. Drug repurposing against SARS-CoV-2 receptor binding domain using ensemble-based virtual screening and molecular dynamics simulations.
Kumar V; Liu H; Wu C
Comput Biol Med; 2021 Aug; 135():104634. PubMed ID: 34256255
[TBL] [Abstract][Full Text] [Related]
18. Examining Functional Linkages Between Conformational Dynamics, Protein Stability and Evolution of Cryptic Binding Pockets in the SARS-CoV-2 Omicron Spike Complexes with the ACE2 Host Receptor: Recombinant Omicron Variants Mediate Variability of Conserved Allosteric Sites and Binding Epitopes.
Alshahrani M; Gupta G; Xiao S; Tao P; Verkhivker G
bioRxiv; 2023 Sep; ():. PubMed ID: 37745525
[TBL] [Abstract][Full Text] [Related]
19. Structural Basis for Human Receptor Recognition by SARS-CoV-2 Omicron Variant BA.1.
Geng Q; Shi K; Ye G; Zhang W; Aihara H; Li F
J Virol; 2022 Apr; 96(8):e0024922. PubMed ID: 35343765
[TBL] [Abstract][Full Text] [Related]
20. Epistasis at the SARS-CoV-2 Receptor-Binding Domain Interface and the Propitiously Boring Implications for Vaccine Escape.
Rochman ND; Faure G; Wolf YI; Freddolino PL; Zhang F; Koonin EV
mBio; 2022 Apr; 13(2):e0013522. PubMed ID: 35289643
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
