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Suitability of MMGBSA for the selection of correct ligand binding modes from docking results

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Building shape-focused pharmacophore models for effective docking screening

inferred← citeshttps://doi.org/10.1186/s43094-026-00963-2openalex-snapshot

Exploring the potential of SGLT2 inhibitors in Alzheimer’s disease: network pharmacology, molecular docking, and MD simulation study

inferred← citeshttps://doi.org/10.1371/journal.pone.0352147openalex-snapshot

Integrated in silico and in vivo larvicidal evaluation of compounds targeting juvenile hormone for malaria vector control

inferred← citeshttps://doi.org/10.21203/rs.3.rs-10620341/v1openalex-snapshot

A multi-layer computational framework for structural prioritization of transcriptome-derived proteins

inferred← citeshttps://doi.org/10.3390/app12010515openalex-snapshot

In Silico Studies of Tumor Targeted Peptide-Conjugated Natural Products for Targeting Over-Expressed Receptors in Breast Cancer Cells Using Molecular Docking, Molecular Dynamics and MMGBSA Calculations

inferred← citeshttps://doi.org/10.3390/ijms262412038openalex-snapshot

In Silico Lead Identification of Staphylococcus aureus LtaS Inhibitors: A High-Throughput Computational Pipeline Towards Prototype Development

inferred← citeshttps://doi.org/10.3390/metabo13101090openalex-snapshot

Marine-Derived Compounds for CDK5 Inhibition in Cancer: Integrating Multi-Stage Virtual Screening, MM/GBSA Analysis and Molecular Dynamics Investigations

inferred← citeshttps://doi.org/10.3390/molecules28145320openalex-snapshot

In Silico Discovery of Small-Molecule Inhibitors Targeting SARS-CoV-2 Main Protease

inferred← citeshttps://doi.org/10.6084/m9.figshare.13300130openalex-snapshot

Additional file 1 of KLF7: a new candidate biomarker and therapeutic target for high-grade serous ovarian cancer

inferred← citeshttps://doi.org/10.6084/m9.figshare.13300133openalex-snapshot

Additional file 2 of KLF7: a new candidate biomarker and therapeutic target for high-grade serous ovarian cancer

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