Cover Image

Molecular Dynamics Identify Variances Between Galectin Carbohydrate‐Binding Sites That Impact the Binding Site Conformation and Ligand Binding

Fuente: Wiley Open Access

Saved in:

Bibliographic Details
Main Authors:	Rob Marc Go, Chandan Kishor, Alpeshkumar K. Malde, Helen Blanchard
Format:	Artículo Open Access
Published:	Wiley 2025
Subjects:	Proteins: Structure, Function, and Bioinformatics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

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

Improved Prediction of Stabilizing Mutations in Proteins by Incorporation of Mutational Effects on Ligand Binding
by: Srivarshini Ganesan, et al.
Published: (2024)

Responses to Ligand Binding in the Bacterial DNA Sliding Clamp “β‐Clamp” Manifest in Dynamic Allosteric Effects
by: Signe Simonsen, et al.
Published: (2025)

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

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

Ligand Binding Prediction on Pharmaceutical and Nucleic Acid Targets by the CoDock Group in CASP16
by: Ren Kong, et al.
Published: (2025)

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

Binding Differences of the Peptide‐Substrate–Binding Domain of Collagen Prolyl 4‐Hydroxylases I and II for Proline‐ and Hydroxyproline‐Rich Peptides
by: M. Mubinur Rahman, et al.
Published: (2025)

Selective Inhibition of hsp90 Paralogs: Uncovering the Role of Helix 1 in Grp94‐Selective Ligand Binding
by: Nanette L. S. Que, et al.
Published: (2024)

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

Order/Disorder Transitions Upon Protein Binding: A Unifying Perspective
by: Olga O. Lebedenko, et al.
Published: (2024)

x‐Ray Structure of Streptomyces avermitilis Phospholipase D Reveals a Ca 2+ ‐Stabilized Expanded Active‐Site Cleft Adapted for Phospholipid Binding
by: Yoshiaki Yasutake, et al.
Published: (2026)

Structural Insights Into the Impact of the Glycine‐Rich Loop Mutation in Noonan Syndrome on the ATP Binding Pocket of CRAF Kinase
by: Fatemeh Janati‐Fard, et al.
Published: (2024)

Protein‐ RNA Docking Benchmark v3.0 Integrated With Binding Affinity
by: Shri Kant, et al.
Published: (2025)

Structural Basis for Monomer–Dimer Transition of Dri1 Upon Heme Binding
by: Xiao‐Ying Wang, et al.
Published: (2024)

Exploring the Effect of Hydrocarbon Cross‐Linkers on the Structure and Binding of Stapled p53 Peptides
by: Asha Rani Choudhury, et al.
Published: (2025)

The SIRT1 N‐Terminal Domain as a Common Binding Interface for PPARγ Anchoring
by: Caique Camargo Malospirito, et al.
Published: (2025)

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

In Silico and In Vitro Analysis of Ganoderic Acid A Binding to Human Monocarboxylate Transporters 1 and 4
by: Mona Alrasheed Bashir, et al.
Published: (2026)

Allium sativum‐Derived Alliin and Allicin Stably Bind to α‐Synuclein and Prevent Its Cytotoxic Aggregation
by: S. Rehan Ahmad, et al.
Published: (2025)

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
by: Ishani Paul, et al.
Published: (2026)

PCANN Program for Structure‐Based Prediction of Protein–Protein Binding Affinity: Comparison With Other Neural‐Network Predictors
by: Olga O. Lebedenko, et al.
Published: (2025)

The High‐Resolution Structure of a Variable Lymphocyte Receptor From Petromyzon marinus Capable of Binding to the Brain Extracellular Matrix
by: Elizabeth A. Appelt, et al.
Published: (2024)

Novel Insights Into the Dynamic Conformational Transitions and Active Site Plasticity of Human Immunoregulatory Cathepsin S
by: Durga Geetha, et al.
Published: (2025)

3D‐ΔΔG: A Dual‐Channel Prediction Model for Protein–Protein Binding Affinity Changes Following Mutation Based on Protein 3D Structures
by: Yuxiang Wang, et al.
Published: (2025)

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

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

Impact of N‐Terminal Domain Conformation and Domain Interactions on RfaH Fold Switching
by: Bahman Seifi, et al.
Published: (2024)

Insights Into the Conformational Dynamics of the Cytoplasmic Domain of Metal‐Sensing Sensor Histidine Kinase ZraS
by: Nilima Mahapatra, et al.
Published: (2025)

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

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

Rigidifying Flexible Sites: A Promising Strategy to Improve Thermostability of Lysophospholipase From Pyrococcus abyssi
by: Arshia Nazir, et al.
Published: (2024)

Correction to Rigidifying Flexible Sites: A Promising Strategy to Improve Thermostability of Lysophospholipase From Pyrococcus abyssi
Published: (2025)

Protein–Ligand Structure Prediction by Template‐Guided Ensemble Docking Strategy
by: Keqiong Zhang, et al.
Published: (2025)

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

Modeling Protein–Protein and Protein–Ligand Interactions by the ClusPro Team in CASP16
by: Ryota Ashizawa, et al.
Published: (2025)

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

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

Structural Implications of HIV ‐1 Protease Subtype C Bound to Darunavir: A Molecular Dynamics Study
by: Sankaran Venkatachalam, et al.
Published: (2025)

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