Structure Based Drug Discovery - Cancer Science

Relevant Publications

Towards a dependable data set of structures for L-asparaginase research.

Issue Release: 2024

Alternate recognition by dengue protease: Proteolytic and binding assays provide functional evidence beyond an induced-fit.

Issue Release: 2024

Structure-based virtual screening of vast chemical space as a starting point for drug discovery.

Issue Release: 2024

Integrating UPLC-MS/MS with in Silico and in Vitro Screening Accelerates the Discovery of Active Compounds in Stephania epigaea.

Issue Release: 2024

Computational evaluation and benchmark study of 342 crystallographic holo-structures of SARS-CoV-2 Mpro enzyme.

Issue Release: 2024

Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane.

Issue Release: 2024

Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome.

Issue Release: 2024

In silico fragment-based discovery of CIB1-directed anti-tumor agents by FRASE-bot.

Issue Release: 2024

A Robust Induced Fit Docking Approach with the Combination of the Hybrid All-Atom/United-Atom/Coarse-Grained Model and Simulated Annealing.

Issue Release: 2024

A Fluorescence Polarization Assay for High-Throughput Screening of Inhibitors against HIV-1 Nef-Mediated CD4 Downregulation.

Issue Release: 2024

Modeling of Blood-Brain Barrier (BBB) Dysfunction and Immune Cell Migration Using Human BBB-on-a-Chip for Drug Discovery Research.

Issue Release: 2024

Progress in the application of artificial intelligence in molecular generation models based on protein structure.

Issue Release: 2024

Synthesis of a Library of Terpenoid Alkaloid-like Compounds Containing Medium-sized Rings via Reconstruction of the Humulene Skeleton.

Issue Release: 2024

Polypharmacology-Driven Discovery and Design of Highly Selective, Dual and Multitargeting Inhibitors of Mycobacterium tuberculosis - A Review.

Issue Release: 2024

Ligand-based drug design against Herpes Simplex Virus-1 capsid protein by modification of limonene through in silico approaches.

Issue Release: 2024

Identification of Druggable Binding Sites and Small Molecules as Modulators of TMC1.

Issue Release: 2024

Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities.

Issue Release: 2024

Differential Behavior of Conformational Dynamics in Active and Inactive States of Cannabinoid Receptor 1 Revealed by Microsecond-Level Molecular Dynamics Simulation.

Issue Release: 2024

Contradiction in Star-Allele Nomenclature of Pharmacogenes between Common Haplotypes and Rare Variants.

Issue Release: 2024

NIMO: A Natural Product-Inspired Molecular Generative Model Based on Conditional Transformer.

Issue Release: 2024

What role do biomarkers play in cancer treatment?

How Do Blister Packs Benefit Cancer Patients?

How to Prepare for Bone Marrow Aspiration?

What are the Benefits of Telemedicine in Cancer Care?

Which Types of Cancer Are Most Commonly Associated with Dysphagia?

How do Keratins Affect Tumor Behavior?

Which Cancers are Associated with MSI-H?

What are the Challenges in Using Natural Compounds for Cancer Treatment?

How is Processed Meat Linked to Cancer?

Why is Tumor Location Important in Cancer?

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