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PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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Ant colony optimization and Swarm intelligence : 5th International Workshop, ANTS 2006, Brussels, Belgium, September 4-7, 2006 : proceedings
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Alternative Quality Assessment Strategy to Compare Performances of GPCR-Ligand Docking Protocols: The Human Adenosine A 2A Receptor as a Case Study
inferred← citeshttps://doi.org/10.1021/ci800298zopenalex-snapshot
Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS
inferred← citeshttps://doi.org/10.1021/ci800420zopenalex-snapshot
Influence of Protonation, Tautomeric, and Stereoisomeric States on Protein−Ligand Docking Results
inferred← citeshttps://doi.org/10.1021/ct100060topenalex-snapshot
Ab Initio Protein Folding Using a Cooperative Swarm of Molecular Dynamics Trajectories
inferred← citeshttps://doi.org/10.1021/jm070357eopenalex-snapshot
Synthesis and Antiviral Activity of the Carbocyclic Analogue of the Highly Potent and Selective Anti-VZV Bicyclo Furano Pyrimidines
inferred← citeshttps://doi.org/10.1021/jm101614jopenalex-snapshot
Indolylarylsulfones as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors: New Cyclic Substituents at Indole-2-carboxamide
inferred← citeshttps://doi.org/10.1021/jm2013979openalex-snapshot
Synthesis and Evaluation of 1,5-Disubstituted Tetrazoles as Rigid Analogues of Combretastatin A-4 with Potent Antiproliferative and Antitumor Activity
inferred← citeshttps://doi.org/10.1021/jm300388hopenalex-snapshot
Discovery and Optimization of a Series of 2-Aryl-4-Amino-5-(3′,4′,5′-trimethoxybenzoyl)Thiazoles as Novel Anticancer Agents
inferred← citeshttps://doi.org/10.1021/jm301886topenalex-snapshot
Bispyrimidines as Potent Histamine H4 Receptor Ligands: Delineation of Structure–Activity Relationships and Detailed H4 Receptor Binding Mode
inferred← citeshttps://doi.org/10.1021/jm400043dopenalex-snapshot
Synthesis and Biological Evaluation of 2-(Alkoxycarbonyl)-3-Anilinobenzo[b]thiophenes and Thieno[2,3-b]pyridines as New Potent Anticancer Agents
inferred← citeshttps://doi.org/10.1021/jm4013938openalex-snapshot
Concise Synthesis and Biological Evaluation of 2-Aroyl-5-Amino Benzo[b]thiophene Derivatives As a Novel Class of Potent Antimitotic Agents
inferred← citeshttps://doi.org/10.1021/jm5008193openalex-snapshot
Synthesis, Antimitotic and Antivascular Activity of 1-(3′,4′,5′-Trimethoxybenzoyl)-3-arylamino-5-amino-1,2,4-triazoles
inferred← citeshttps://doi.org/10.1021/jm5011622openalex-snapshot
Indolylarylsulfones Carrying a Heterocyclic Tail as Very Potent and Broad Spectrum HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors
inferred← citeshttps://doi.org/10.1021/jm801470bopenalex-snapshot
Indolylarylsulfones Bearing Natural and Unnatural Amino Acids. Discovery of Potent Inhibitors of HIV-1 Non-Nucleoside Wild Type and Resistant Mutant Strains Reverse Transcriptase and Coxsackie B4 Virus
inferred← citeshttps://doi.org/10.1038/s41598-018-22303-yopenalex-snapshot
In silico screening for human norovirus antivirals reveals a novel non-nucleoside inhibitor of the viral polymerase
inferred← citeshttps://doi.org/10.1038/s41598-018-36808-zopenalex-snapshot
The Phenolic compound Kaempferol overcomes 5-fluorouracil resistance in human resistant LS174 colon cancer cells
inferred← citeshttps://doi.org/10.1038/s41598-022-08359-xopenalex-snapshot
Virtual screening, optimization and molecular dynamics analyses highlighting a pyrrolo[1,2-a]quinazoline derivative as a potential inhibitor of DNA gyrase B of Mycobacterium tuberculosis
inferred← citeshttps://doi.org/10.1038/s41598-023-46317-3openalex-snapshot
Synthesis and biochemical evaluation of 17-N-beta-aminoalkyl-4,5α-epoxynormorphinans
inferred← citeshttps://doi.org/10.1038/s41598-024-56893-7openalex-snapshot
VirtuousPocketome: a computational tool for screening protein–ligand complexes to identify similar binding sites
inferred← citeshttps://doi.org/10.1038/s42003-024-06746-wopenalex-snapshot
Enabling target-aware molecule generation to follow multi objectives with Pareto MCTS
inferred← citeshttps://doi.org/10.1038/s44386-026-00063-4openalex-snapshot
Data driven selection of consensus docking pipelines for structure based hit identification
inferred← citeshttps://doi.org/10.1038/srep26602openalex-snapshot
Design and Synthesis of Potent in Vitro and in Vivo Anticancer Agents Based on 1-(3′,4′,5′-Trimethoxyphenyl)-2-Aryl-1H-Imidazole
inferred← citeshttps://doi.org/10.1038/srep46356openalex-snapshot
Synthesis and Biological Evaluation of 2-Methyl-4,5-Disubstituted Oxazoles as a Novel Class of Highly Potent Antitubulin Agents
inferred← citeshttps://doi.org/10.1039/c2md20212copenalex-snapshot
Mapping histamine H 4 receptor–ligand binding modes
inferred← citeshttps://doi.org/10.1039/c5md00557dopenalex-snapshot
Development of a competitive binding assay for the Burkholderia cenocepacia lectin BC2L-A and structure activity relationship of natural and synthetic inhibitors
inferred← citeshttps://doi.org/10.1039/d2sc06576bopenalex-snapshot
MetalProGNet: a structure-based deep graph model for metalloprotein–ligand interaction predictions
inferred← citeshttps://doi.org/10.1055/a-2435-4709openalex-snapshot
In Silico Identification of Promising PDE5 Inhibitors Against Hepatocellular Carcinoma Among Natural Derivatives: A Study Involving Docking and ADMET Analysis
inferred← citeshttps://doi.org/10.1074/jbc.m111.244509openalex-snapshot
Isomerization of the Phytohormone Precursor 12-Oxophytodienoic Acid (OPDA) in the Insect Gut
inferred← citeshttps://doi.org/10.1074/jbc.m117.812792openalex-snapshot
Photorhabdus luminescens lectin A (PllA): A new probe for detecting α-galactoside–terminating glycoconjugates
inferred← citeshttps://doi.org/10.1080/07391102.2018.1447513openalex-snapshot
In silico development of new acetylcholinesterase inhibitors
inferred← citeshttps://doi.org/10.1080/07391102.2019.1655480openalex-snapshot
Potential novel inhibitors against emerging zoonotic pathogen Nipah virus: a virtual screening and molecular dynamics approach
inferred← citeshttps://doi.org/10.1080/07391102.2020.1831960openalex-snapshot
Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations study
inferred← citeshttps://doi.org/10.1080/07391102.2021.1877818openalex-snapshot
A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify h sGC βH-NOX allosteric modulators for cardiovascular dysfunctions
inferred← citeshttps://doi.org/10.1080/07391102.2022.2105958openalex-snapshot
Efficient DNA-ligand interaction framework using fuzzy C-means clustering based glowworm swarm optimization (FCMGSO) method
inferred← citeshttps://doi.org/10.1080/07391102.2024.2435058openalex-snapshot
Molecular simulations and machine learning methods for the identification of novel aurora A kinase inhibitors
inferred← citeshttps://doi.org/10.1080/14756366.2017.1355791openalex-snapshot
Inhibition of dengue virus replication by novel inhibitors of RNA-dependent RNA polymerase and protease activities
inferred← citeshttps://doi.org/10.1080/14756366.2021.1954919openalex-snapshot
Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332
inferred← citeshttps://doi.org/10.1080/17460441.2024.2432972openalex-snapshot
Integrated machine learning and physics-based methods assisted de novo design of Fatty Acyl-CoA synthase inhibitors
inferred← citeshttps://doi.org/10.1080/17460441.2025.2601118openalex-snapshot
Computer-aided approaches for human norovirus drug discovery: a comprehensive review
inferred← citeshttps://doi.org/10.1088/1742-2132/12/2/227openalex-snapshot
Fracture enhancement based on artificial ants and fuzzy c-means clustering (FCMC) in Dezful Embayment of Iran
inferred← citeshttps://doi.org/10.1093/bib/bbz143openalex-snapshot
Comprehensive evaluation of the MM-GBSA method on bromodomain-inhibitor sets
inferred← citeshttps://doi.org/10.1093/bioinformatics/btv319openalex-snapshot
antaRNA: ant colony-based RNA sequence design
inferred← citeshttps://doi.org/10.1093/bioinformatics/btz538openalex-snapshot
Towards accurate high-throughput ligand affinity prediction by exploiting structural ensembles, docking metrics and ligand similarity
inferred← citeshttps://doi.org/10.1101/2022.10.01.510436openalex-snapshot
An in silico evaluation of anthraquinone derivatives as potential inhibitors of DNA gyrase B of Mycobacterium tuberculosis
inferred← citeshttps://doi.org/10.1101/2023.04.25.537981openalex-snapshot
AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors
inferred← citeshttps://doi.org/10.1101/2023.08.31.555806openalex-snapshot
A benzoxazolylurea inhibits VraS and enhances antimicrobials against vancomycin intermediate-resistant Staphylococcus aureus
inferred← citeshttps://doi.org/10.1101/2024.12.23.630124openalex-snapshot
Pharmacophore design and ensemble-docking as approach to screening a large-scale database for identification of potential inhibitors of APH(3')-IIIa of Enterococcus faecalis
inferred← citeshttps://doi.org/10.1109/his.2007.36openalex-snapshot
Ant Colony Optimization: Introduction and Hybridizations
inferred← citeshttps://doi.org/10.1109/icsgea.2017.23openalex-snapshot
Fidelity-Based Ant Colony Optimization for Control of Quantum System
inferred← citeshttps://doi.org/10.1109/wsc57314.2022.10015464openalex-snapshot
From Discovery to Production: Challenges and Novel Methodologies for Next Generation Biomanufacturing
inferred← citeshttps://doi.org/10.1111/cbdd.12600openalex-snapshot
Transmembrane Helix Assembly by Max–Min Ant System Algorithm
inferred← citeshttps://doi.org/10.1111/febs.15229openalex-snapshot
Human proteinase 3 resistance to inhibition extends to alpha‐2 macroglobulin
inferred← citeshttps://doi.org/10.1111/j.1365-2958.2011.07799.xopenalex-snapshot
The Leishmania nicotinamidase is essential for NAD+ production and parasite proliferation
inferred← citeshttps://doi.org/10.1126/sciadv.ady2859openalex-snapshot
An acyclic nucleoside phosphonate effectively blocks the egress of the malaria parasite by inhibiting the synthesis of cyclic GMP
inferred← citeshttps://doi.org/10.1142/s0219720015410073openalex-snapshot
PSOVina: The hybrid particle swarm optimization algorithm for protein–ligand docking
inferred← citeshttps://doi.org/10.1142/s2737416524500674openalex-snapshot
Gen-AI Methods, Molecular Docking and Molecular Dynamics Simulations for Identification of Novel Inhibitors of MmPL3 Transporter of Mycobacterium tuberculosis
inferred← citeshttps://doi.org/10.1145/2001576.2001818openalex-snapshot
GPU-accelerated high-accuracy molecular docking using guided differential evolution
inferred← citeshttps://doi.org/10.1145/2245276.2231996openalex-snapshot
Molecular docking with opposition-based differential evolution
inferred← citeshttps://doi.org/10.1155/2015/540186openalex-snapshot
A New Approach for Flexible Molecular Docking Based on Swarm Intelligence
inferred← citeshttps://doi.org/10.1177/10943420211001565openalex-snapshot
High-throughput virtual laboratory for drug discovery using massive datasets
inferred← citeshttps://doi.org/10.1186/1471-2105-13-s17-s7openalex-snapshot
Sanjeevini: a freely accessible web-server for target directed lead molecule discovery
inferred← citeshttps://doi.org/10.1186/1752-153x-2-s1-p31openalex-snapshot
A theoretical investigation on the geometries of glucagon-like peptide-1 and its interactions with dipeptidyl peptidase DPP-IV
inferred← citeshttps://doi.org/10.1186/1752-153x-2-s1-p5openalex-snapshot
Multi-body interactions in molecular docking: treatment of water molecules and multiple ligands
inferred← citeshttps://doi.org/10.1186/1752-153x-3-s1-o10openalex-snapshot
Efficient ant colony optimization algorithms for structure- and ligand-based drug design
inferred← citeshttps://doi.org/10.1186/1752-153x-3-s1-p16openalex-snapshot
New and improved features of the docking software PLANTS
inferred← citeshttps://doi.org/10.1186/s13321-025-01097-yopenalex-snapshot
Prediction of UGT-mediated phase II metabolism via ligand- and structure-based predictive models
inferred← citeshttps://doi.org/10.1371/journal.pone.0085678openalex-snapshot
istar: A Web Platform for Large-Scale Protein-Ligand Docking
inferred← citeshttps://doi.org/10.1371/journal.pone.0086002openalex-snapshot
An High-Throughput In Vivo Screening System to Select H3K4-Specific Histone Demethylase Inhibitors
inferred← citeshttps://doi.org/10.14393/ufu.di.2019.325openalex-snapshot
Coordenação de times de robôs baseada em mapas descentralizados de feromônio repulsivo e regras locais de autômatos celulares
inferred← citeshttps://doi.org/10.15625/2525-2518/20030openalex-snapshot
6-hydroxygeniposide, a potent -glucosidase inhibitor from Gardenia jasminoides growing in Viet Nam
inferred← citeshttps://doi.org/10.18097/pbmc20247006442openalex-snapshot
The effect of bitter honey against cerebral malaria-induced inflammasome cell death: network pharmacology-based in silico evaluation
inferred← citeshttps://doi.org/10.19053/01211048.11411openalex-snapshot
A bibliometric analysis of the product line design problem
inferred← citeshttps://doi.org/10.21203/rs.3.rs-2747350/v1openalex-snapshot
PLANTS+: Improving Ant Colony Algorithms for Drug Design
inferred← citeshttps://doi.org/10.21203/rs.3.rs-2747350/v2openalex-snapshot
Augmented Ant Colony Algorithm for Virtual Drug Discovery
inferred← citeshttps://doi.org/10.21203/rs.3.rs-3614758/v1openalex-snapshot
Identification of potential 3CLpro inhibitors-modulators for human norovirus infections: An advanced virtual screening approach
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