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DockoMatic 2.0: High Throughput Inverse Virtual Screening and Homology Modeling
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(19981115)19:14<1639::aid-jcc10>3.0.co;2-bopenalex-snapshot
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
inferredcites →https://doi.org/10.1002/chem.200700661openalex-snapshot
Improved Cyclodextrin‐Based Receptors for Camptothecin by Inverse Virtual Screening
inferredcites →https://doi.org/10.1002/jcc.20084openalex-snapshot
UCSF Chimera—A visualization system for exploratory research and analysis
inferredcites →https://doi.org/10.1002/jcc.21334openalex-snapshot
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
inferredcites →https://doi.org/10.1002/jcc.21864openalex-snapshot
DockoMatic: Automated peptide analog creation for high throughput virtual screening
inferredcites →https://doi.org/10.1002/pro.110430openalex-snapshot
Statistical potentials for fold assessment
inferredcites →https://doi.org/10.1006/jmbi.1993.1626openalex-snapshot
Comparative Protein Modelling by Satisfaction of Spatial Restraints
inferredcites →https://doi.org/10.1007/bf00124499openalex-snapshot
Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4
inferredcites →https://doi.org/10.1016/j.mrgentox.2012.01.001openalex-snapshot
Cytotoxic and necrotic responses in human amniotic epithelial (WISH) cells exposed to organophosphate insecticide phorate
inferredcites →https://doi.org/10.1021/np100935sopenalex-snapshot
Inverse Virtual Screening of Antitumor Targets: Pilot Study on a Small Database of Natural Bioactive Compounds
inferredcites →https://doi.org/10.1093/bioinformatics/bti770openalex-snapshot
The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling
inferredcites →https://doi.org/10.1093/nar/gkn201openalex-snapshot
NCBI BLAST: a better web interface
inferredcites →https://doi.org/10.1107/s0021889892009944openalex-snapshot
PROCHECK: a program to check the stereochemical quality of protein structures
inferredcites →https://doi.org/10.1110/ps.062095806openalex-snapshot
A composite score for predicting errors in protein structure models
inferredcites →https://doi.org/10.1110/ps.062416606openalex-snapshot
Statistical potential for assessment and prediction of protein structures
inferredcites →https://doi.org/10.1126/science.2983426openalex-snapshot
Rapid and Sensitive Protein Similarity Searches
inferredcites →https://doi.org/10.1146/annurev.biophys.29.1.291openalex-snapshot
Comparative Protein Structure Modeling of Genes and Genomes
inferredcites →https://doi.org/10.1186/1756-0500-3-289openalex-snapshot
Dockomatic - automated ligand creation and docking
inferredcites →https://doi.org/10.1186/1758-2946-3-33openalex-snapshot
Open Babel: An open chemical toolbox
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/bmb.20767openalex-snapshot
Homology modeling and molecular docking for the science curriculum
inferred← citeshttps://doi.org/10.1002/bmb.20925openalex-snapshot
Computational exploration of a protein receptor binding space with student proposed peptide ligands
inferred← citeshttps://doi.org/10.1002/cbic.201300577openalex-snapshot
Acetylcholine Promotes Binding of α‐Conotoxin MII at α3β2 Nicotinic Acetylcholine Receptors
inferred← citeshttps://doi.org/10.1002/jcc.27390openalex-snapshot
MzDOCK : A free ready‐to‐use GUI ‐based pipeline for molecular docking simulations
inferred← citeshttps://doi.org/10.1002/jmr.2471openalex-snapshot
Improvements, trends, and new ideas in molecular docking: 2012–2013 in review
inferred← citeshttps://doi.org/10.1007/7653_2018_23openalex-snapshot
Computational Multi-Target Drug Design
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Enzyme Cascade Design: Retrosynthesis Approach
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Decoding HDACs and its inhibitors-artificial intelligence assisted smart software based super computational modelling technology in targeting cancer and neurological disorders of the brain
inferred← citeshttps://doi.org/10.1007/s41048-017-0045-8openalex-snapshot
Docking-based inverse virtual screening: methods, applications, and challenges
inferred← citeshttps://doi.org/10.1016/b978-0-323-91172-6.00021-2openalex-snapshot
Databases, DrugBank, and virtual screening platforms for therapeutic development
inferred← citeshttps://doi.org/10.1016/bs.apcsb.2018.01.006openalex-snapshot
In Silico Tools and Databases for Designing Peptide-Based Vaccine and Drugs
inferred← citeshttps://doi.org/10.1016/j.jmgm.2016.07.008openalex-snapshot
Open source molecular modeling
inferred← citeshttps://doi.org/10.1016/j.ymeth.2017.08.010openalex-snapshot
Function and structure-based screening of compounds, peptides and proteins to identify drug candidates
inferred← citeshttps://doi.org/10.1021/acs.jafc.5c07349openalex-snapshot
AutoFlex-Dock: New Molecular Docking Workshop Supports Deciphering Protein–Ligand Interactions
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00095openalex-snapshot
Genetic Algorithm Managed Peptide Mutant Screening: Optimizing Peptide Ligands for Targeted Receptor Binding
inferred← citeshttps://doi.org/10.1038/srep18701openalex-snapshot
Fortilin potentiates the peroxidase activity of Peroxiredoxin-1 and protects against alcohol-induced liver damage in mice
inferred← citeshttps://doi.org/10.1055/a-1971-6965openalex-snapshot
Repurposing of Drugs for Cardiometabolic Disorders: An Out and Out Cumulation
inferred← citeshttps://doi.org/10.1080/17460441.2021.1858793openalex-snapshot
The latest automated docking technologies for novel drug discovery
inferred← citeshttps://doi.org/10.1093/bib/bbad047openalex-snapshot
Dockey: a modern integrated tool for large-scale molecular docking and virtual screening
inferred← citeshttps://doi.org/10.1093/nar/gkaa861openalex-snapshot
DockCoV2: a drug database against SARS-CoV-2
inferred← citeshttps://doi.org/10.1155/2022/2832889openalex-snapshot
Drug Discovery of Plausible Lead Natural Compounds That Target the Insulin Signaling Pathway: Bioinformatics Approaches
inferred← citeshttps://doi.org/10.18122/td.1847.boisestateopenalex-snapshot
Autophagy Regulation by Lipid Factors with Implications for Parkinson's Disease
inferred← citeshttps://doi.org/10.18122/td.1861.boisestateopenalex-snapshot
Engineering of Recombinant Fortilin for Structure Activity Studies
inferred← citeshttps://doi.org/10.18122/td/1623/boisestateopenalex-snapshot
Structure and Bioactivity of a Rationally Designed Nicotinic Acetylcholine Receptor Antagonist Targeting the Alpha-3 Beta-2 Subtype
inferred← citeshttps://doi.org/10.2174/1570180819666220922103109openalex-snapshot
Molecular Docking: Principles, Advances, and Its Applications in Drug Discovery
inferred← citeshttps://doi.org/10.3389/fphar.2025.1550158openalex-snapshot
New strategies to enhance the efficiency and precision of drug discovery
inferred← citeshttps://doi.org/10.3390/ijms20205062openalex-snapshot
DockNmine, a Web Portal to Assemble and Analyse Virtual and Experimental Interaction Data
inferred← citeshttps://doi.org/10.3390/ijms27073302openalex-snapshot
Open-Source Molecular Docking and AI-Augmented Structure-Based Drug Design: Current Workflows, Challenges, and Opportunities
inferred← citeshttps://doi.org/10.3390/md17120669openalex-snapshot
Ribbon α-Conotoxin KTM Exhibits Potent Inhibition of Nicotinic Acetylcholine Receptors
inferred← citeshttps://doi.org/10.3390/ph14060573openalex-snapshot
Repurposing Drugs to Treat Heart and Brain Illness
inferred← citeshttps://doi.org/10.3390/toxins11020113openalex-snapshot
Mutagenesis of α-Conotoxins for Enhancing Activity and Selectivity for Nicotinic Acetylcholine Receptors
inferred← citeshttps://doi.org/10.3390/toxins11120682openalex-snapshot
Qualitative Assay to Detect Dopamine Release by Ligand Action on Nicotinic Acetylcholine Receptors
inferred← citeshttps://doi.org/10.3934/molsci.2016.2.238openalex-snapshot
Assessing the utility and limitations of high throughput virtual screening
inferred← citeshttps://doi.org/10.4018/979-8-3693-5598-5.ch014openalex-snapshot
Molecular Docking Analysis
inferred← citeshttps://doi.org/10.4310/cis.241021221101openalex-snapshot
Docking strategies for predicting protein-ligand interactions and their application to structure-based drug design
inferred← citeshttps://doi.org/10.70675/4ca0710fzd709z4d42zbf43z2c0dea765e4dopenalex-snapshot
Développement de méthodologies innovantes pour la caractérisation d’interfaces protéine-protéine et la conception d’inhibiteurs spécifiques : exploration de l’interface protéique de RhoA /ArhGEF1
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