Buchumschlag

Structural Implications of HIV ‐1 Protease Subtype C Bound to Darunavir: A Molecular Dynamics Study

Fuente: Wiley Open Access

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Sankaran Venkatachalam, Sowmya Ramaswamy Krishnan, Ramesh Pandian, Yasien Sayed, M. Michael Gromiha
Format:	Artículo Open Access
Veröffentlicht:	Wiley 2025
Schlagworte:	Proteins: Structure, Function, and Bioinformatics
Online-Zugang:	Acceder al recurso
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge

Computational Discovery of MERS ‐ CoV Main Protease Inhibitors Through Screening and Molecular Dynamics Simulations
von: Shahidul M. Islam, et al.
Veröffentlicht: (2026)

Investigating Local Sequence‐Structural Attributes of Amyloidogenic Light Chain Variable Domains
von: Puneet Rawat, et al.
Veröffentlicht: (2025)

Computationally Efficient Network Models Successfully Predict Allosteric Sites of SARS ‐ CoV ‐2 Main Protease and Reveal Its Dynamic Allostery
von: Merve Yuce, et al.
Veröffentlicht: (2026)

The High‐Affinity Chymotrypsin Inhibitor Eglin C Poorly Inhibits Human Chymotrypsin‐Like Protease: Gln192 and Lys218 Are Key Determinants
von: Bálint Zoltán Németh, et al.
Veröffentlicht: (2024)

Based on Molecular Docking, Molecular Dynamics Simulation and MM / PB ( GB ) SA to Study Potential Inhibitors of PRRSV ‐Nsp4
von: Tianyu Shi, et al.
Veröffentlicht: (2024)

Unraveling the Structural Basis of Biased Agonism in the β2‐Adrenergic Receptor Through Molecular Dynamics Simulations
von: Wojciech Plazinski, et al.
Veröffentlicht: (2024)

Unraveling the Structure–Function Relationship and Mechanism of an Important Spiro‐Forming Nitrilase Using Metadynamics and Quantum Molecular Dynamics
von: Abhishek Kumar, et al.
Veröffentlicht: (2025)

PIM‐1L Kinase Binds to and Inactivates SRPK1: A Biochemical and Molecular Dynamics Study
von: Nastazia Lesgidou, et al.
Veröffentlicht: (2024)

REV ‐ ERBβ Binding Pocket Dynamics With Implications for Rational Design of Small Molecule Modulators
von: Shriyansh Srivastava, et al.
Veröffentlicht: (2025)

Conformational Dynamics and Molecular Characterization of Alsin MORN Monomer and Dimeric Assemblies
von: Marcello Miceli, et al.
Veröffentlicht: (2024)

Comparative Binding Dynamics of Minibinder 8.6 and HBD3 With TLR3 as Adjuvants for Developing a Peptide‐Based Multi‐Epitope Subunit Vaccine Against mCRPC : A Molecular Dynamics Study
von: Ishani Paul, et al.
Veröffentlicht: (2026)

Molecular Dynamics Analysis of Inhibitor Binding Interactions in the Vibrio cholerae Respiratory Complex NQR
von: Joseph. A. DePaolo‐Boisvert, et al.
Veröffentlicht: (2025)

Crystal structure of human Cep57 C‐terminal domain reveals the presence of leucine zipper and the potential microtubule binding region
von: Sanskrita Sukla, et al.
Veröffentlicht: (2024)

Blind Prediction of Complex Water and Ion Ensembles Around RNA in CASP16
von: Rachael C. Kretsch, et al.
Veröffentlicht: (2025)

Structure and Dynamics of Cannabinoid Binding to the GABA A Receptor
von: Lautaro Damian Alvarez, et al.
Veröffentlicht: (2025)

Using Short Molecular Dynamics Simulations to Determine the Important Features of Interactions in Antibody–Protein Complexes
von: A. Clay Richard, et al.
Veröffentlicht: (2024)

Role of the DPP4 Receptor in SARS ‐ CoV Entry: Insights From Docking and Molecular Dynamics Simulations
von: Patrícia Pereira Duzi Carvalho, et al.
Veröffentlicht: (2025)

Structure and Mechanism of PhdC , a Prenylated‐Flavin Maturase
von: Dominic R. Whittall, et al.
Veröffentlicht: (2025)

Molecular Dynamics Identify Variances Between Galectin Carbohydrate‐Binding Sites That Impact the Binding Site Conformation and Ligand Binding
von: Rob Marc Go, et al.
Veröffentlicht: (2025)

GPCR Signaling: A Study of the Interplay Between Structure, Energy, and Function
von: Yann Chalopin
Veröffentlicht: (2024)

Interplay of Ser273 Phosphorylation and K268 and K293 Acetylation in PPARγ : Implications for PPARγ Activation
von: Caique Camargo Malospirito, et al.
Veröffentlicht: (2026)

Molecular basis for differential recognition of an allosteric inhibitor by receptor tyrosine kinases
von: Jyoti Verma, et al.
Veröffentlicht: (2024)

Unraveling the interplay between the leucine zipper and forkhead domains of FOXP2 : Implications for DNA binding, stability and dynamics
von: Cardon Maria Perumal, et al.
Veröffentlicht: (2024)

Structural Analysis of the SARS ‐ CoV ‐2 Spike N‐Terminal Domain Across Wild‐Type and Recent Variants: A Comparative Study
von: Miriana Quaranta, et al.
Veröffentlicht: (2025)

Exploring Compactness and Dynamics of Apomyoglobin
von: Anna V. Glyakina, et al.
Veröffentlicht: (2024)

Computational Characterization of the Role of LEM2 / LaminA Interactions on the Stability of BAF ‐Dimer Using Molecular Simulations
von: Aswin Vinod Muthachikavil, et al.
Veröffentlicht: (2025)

Insights Into the Molecular Interactions of MIC2 and M2AP : Role of TSR6 and Conservation Across Species
von: Xu Xia, et al.
Veröffentlicht: (2024)

Development of a Novel Method for Representing 3D Structures of Nucleotides Using the Concept of the TSR Algorithm and Evaluation of the Method Through Studying Specific Interactions Between DNAs and p53
von: Krishna Rauniyar, et al.
Veröffentlicht: (2025)

Structural Classification Insights Into the Plant Defensive Peptides
von: Inda Setyawati, et al.
Veröffentlicht: (2024)

Correction to Structural Classification Insights Into the Plant Defensive Peptides
Veröffentlicht: (2026)

On the Variation of Structural Divergence Among Residues in Enzyme Evolution
von: Julian Echave, et al.
Veröffentlicht: (2025)

Assessment of Nucleic Acid Structure Prediction in CASP16
von: Rachael C. Kretsch, et al.
Veröffentlicht: (2025)

In Silico Characterization of Bromo‐ DragonFLY Binding to the 5‐ HT 2A Receptor: Molecular Insights Into a Potent Designer Psychedelic
von: Syeda Sumayya Tariq, et al.
Veröffentlicht: (2025)

Identifying Bioactive Conformation of GnRH1 Based on Molecular Docking of NMR Conformers to GnRH1R and mAbs
von: Madhavi Latha Yadav Bangaru, et al.
Veröffentlicht: (2026)

Structural Variability of Pfam Domains Based on Alphafold2 Predictions
von: Elly Poretsky, et al.
Veröffentlicht: (2025)

Sequence‐Similar Protein Domain Pairs With Structural or Topological Dissimilarity
von: Peter Røgen
Veröffentlicht: (2024)

Structural Investigation of the Anti‐ CRISPR Protein AcrIE7
von: Jeehee Kang, et al.
Veröffentlicht: (2025)

Structural and Enzymological Characterization of Phosphoserine Phosphatase From Brucella melitensis
von: Tanguy Scaillet, et al.
Veröffentlicht: (2025)

Structural Analysis and Inhibitor Modeling of Bacterioferritin From Brucella abortus
von: Lijun Liu, et al.
Veröffentlicht: (2026)

Exploring the Dynamic Interplay of Deleterious Variants on the RAF1 – RAP1A Binding in Cancer: Conformational Analysis, Binding Free Energy, and Essential Dynamics
von: Abbas Khan, et al.
Veröffentlicht: (2024)