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grid-based rapid induced-fit protocol (grip) docking module of autodock version 1.5.7  (AUTODOCK GmbH)

 
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    AUTODOCK GmbH grid-based rapid induced-fit protocol (grip) docking module of autodock version 1.5.7
    Grid Based Rapid Induced Fit Protocol (Grip) Docking Module Of Autodock Version 1.5.7, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/autodock+docking+protocol/grid+based+rapid+induced+fit+protocol++grip++docking+module+of+autodock+version+1+5+7/pm40528055-184-13-13
    Average 90 stars, based on 1 article reviews
    grid-based rapid induced-fit protocol (grip) docking module of autodock version 1.5.7 - by Bioz Stars, 2026-10
    90/100 stars

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    Article Snippet: Next, top scoring complexes obtained were prepared for Autodock docking protocol.

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    Article Snippet: Water desolvation is one of the key components of the free energy of binding of small molecules to their receptors.. Thus, understanding the energetic balance of solvation and desolvation resulting from individual water molecules can be crucial when estimating ligand binding, especially when evaluating different molecules and poses as done in High-Throughput Virtual Screening (HTVS).. Over the most recent decades, several methods were developed to tackle this problem, ranging from fast approximate methods (usually empirical functions using either discrete atom− atom pairwise interactions or continuum solvent models) to more computationally expensive and accurate ones, mostly based on Molecular Dynamics (MD) simulations, such as Grid Inhomogeneous Solvation Theory (GIST) or Double Decoupling.

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    Article Snippet: The presence of drug-resistant variants of Plasmodium parasites within the population has presented a substantial obstacle to the eradication of Malaria.. As a result, numerous research groups have directed their efforts towards creating new medication candidates that specifically target parasites.. In this study, our main objective was to identify tri-peptide inhibitors for Plasmodium falciparum Dihydrofolate Reductase (PfDHFR) with the aim of finding a new peptide that exhibits superior binding properties compared to the current inhibitor, WR99210.

    Article Title: Toward selective histone deacetylase inhibitor design: homology modeling, docking studies, and molecular dynamics simulations of human class I histone deacetylases.
    Article Snippet: Histone deacetylases (HDACs) play an important role in gene transcription.. Inhibitors of HDACs induce cell differentiation and suppress cell proliferation in tumor cells.. Although many HDAC inhibitors have been designed and synthesized, selective inhibition for class I HDAC isoforms is a goal that has yet to be achieved.

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