On the public citation graph

Virtual Screening Strategies in Drug Discovery: Potential Inhibitors of Candida Albicans Cytochrome B

0 signed · 95 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/jcc.20534openalex-extracted
Can MM‐PBSA calculations predict the specificities of protein kinase inhibitors?
inferredcites →https://doi.org/10.1002/jcc.21334openalex-extracted
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
inferredcites →https://doi.org/10.1002/minf.202200188openalex-extracted
Speed vs Accuracy: Effect on Ligand Pose Accuracy of Varying Box Size and Exhaustiveness in AutoDock Vina
inferredcites →https://doi.org/10.1002/pro.3064openalex-extracted
Comparison of force fields for Alzheimer's A: A case study for intrinsically disordered proteins
inferredcites →https://doi.org/10.1002/ps.655openalex-extracted
A critical evaluation of the role of alternative oxidase in the performance of strobilurin and related fungicides acting at the Q o site of Complex III
inferredcites →https://doi.org/10.1002/wcms.1225openalex-extracted
Machine‐learning scoring functions to improve structure‐based binding affinity prediction and virtual screening
inferredcites →https://doi.org/10.1007/s10822-017-0092-8openalex-extracted
Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening
inferredcites →https://doi.org/10.1007/s11030-021-10267-7openalex-extracted
Type II c-Met inhibitors: molecular insight into crucial interactions for effective inhibition
inferredcites →https://doi.org/10.1007/s11046-017-0170-4openalex-extracted
Restraining Pathogenicity in Candida albicans by Taxifolin as an Inhibitor of Ras1-pka Pathway
inferredcites →https://doi.org/10.1007/s11046-020-00446-9openalex-extracted
Antifungal Activity of Magnesium Oxide Nanoparticles: Effect on the Growth and Key Virulence Factors of Candida albicans
inferredcites →https://doi.org/10.1007/s12275-022-2016-0openalex-extracted
The novel antifungal agent AB-22 displays in vitro activity against hyphal growth and biofilm formation in Candida albicans and potency for treating systemic candidiasis
inferredcites →https://doi.org/10.1016/0014-5793(75)80359-0openalex-extracted
The protonmotive Q cycle: A general formulation
inferredcites →https://doi.org/10.1016/0968-0004(83)90348-1openalex-extracted
The Q cycle, an ubiquitous mechanism of electron transfer
inferredcites →https://doi.org/10.1016/j.apsb.2022.09.003openalex-extracted
Discovery of the radio-protecting effect of Ecliptae Herba, its constituents and targeting p53-mediated apoptosis in vitro and in vivo
inferredcites →https://doi.org/10.1016/j.bbabio.2011.02.006openalex-extracted
The Q cycle of cytochrome bc complexes: A structure perspective
inferredcites →https://doi.org/10.1016/j.bbabio.2016.06.006openalex-extracted
From low- to high-potential bioenergetic chains: Thermodynamic constraints of Q-cycle function
inferredcites →https://doi.org/10.1016/j.bmc.2014.06.058openalex-extracted
Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-β-d-glucopyranosylamines
inferredcites →https://doi.org/10.1016/j.bmcl.2006.02.054openalex-extracted
Neuraminidase pharmacophore model derived from diverse classes of inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2006.09.055openalex-extracted
Farnesyltransferase pharmacophore model derived from diverse classes of inhibitors
inferredcites →https://doi.org/10.1016/j.compbiolchem.2023.107962openalex-extracted
Impact of GSK199 and GSK106 binding on protein arginine deiminase IV stability and flexibility: A computational approach
inferredcites →https://doi.org/10.1016/j.csbj.2020.09.028openalex-extracted
Experimental and computational analysis of biased agonism on full-length and a C-terminally truncated adenosine A 2A receptor
inferredcites →https://doi.org/10.1016/j.ejmech.2021.113961openalex-extracted
Heat shock protein 90 (Hsp90)/Histone deacetylase (HDAC) dual inhibitors for the treatment of azoles-resistant Candida albicans
inferredcites →https://doi.org/10.1016/j.ejmech.2023.115830openalex-extracted
Kinetic modelling of the P-glycoprotein mediated efflux with a large-scale matched molecular pair analysis
inferredcites →https://doi.org/10.1016/j.ijbiomac.2022.09.151openalex-extracted
Combining structure-based pharmacophore modeling and machine learning for the identification of novel BTK inhibitors
inferredcites →https://doi.org/10.1016/j.ijmm.2019.151330openalex-extracted
ADH1 promotes Candida albicans pathogenicity by stimulating oxidative phosphorylation
inferredcites →https://doi.org/10.1016/j.jksus.2022.102402openalex-extracted
Benchmarked molecular docking integrated molecular dynamics stability analysis for prediction of SARS-CoV-2 papain-like protease inhibition by olive secoiridoids
inferredcites →https://doi.org/10.1016/j.mib.2011.06.001openalex-extracted
Mucosal biofilms of Candida albicans
inferredcites →https://doi.org/10.1016/j.redox.2020.101674openalex-extracted
Mitochondrial electron transport chain: Oxidative phosphorylation, oxidant production, and methods of measurement
inferredcites →https://doi.org/10.1016/j.softx.2015.06.001openalex-extracted
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
inferredcites →https://doi.org/10.1016/j.str.2021.08.006openalex-extracted
Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III
inferredcites →https://doi.org/10.1016/j.synbio.2016.10.001openalex-extracted
Beauvericin counteracted multi-drug resistant Candida albicans by blocking ABC transporters
inferredcites →https://doi.org/10.1016/j.tibs.2005.02.001openalex-extracted
Fixing the Q cycle
inferredcites →https://doi.org/10.1016/j.tplants.2005.11.007openalex-extracted
Understanding the cytochrome bc complexes by what they don't do. The Q-cycle at 30
inferredcites →https://doi.org/10.1021/acs.chemrev.9b00055openalex-extracted
End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
inferredcites →https://doi.org/10.1021/acs.jcim.3c01153openalex-extracted
AmberTools
inferredcites →https://doi.org/10.1021/acs.jcim.5b00136openalex-extracted
LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors
inferredcites →https://doi.org/10.1021/acs.jcim.5b00232openalex-extracted
PoLi : A Virtual Screening Pipeline Based on Template Pocket and Ligand Similarity
inferredcites →https://doi.org/10.1021/acs.jcim.8b00773openalex-extracted
The Development of Target-Specific Machine Learning Models as Scoring Functions for Docking-Based Target Prediction
inferredcites →https://doi.org/10.1021/acs.jpcb.1c00276openalex-extracted
Stability of Engineered Ferritin Nanovaccines Investigated by Combined Molecular Simulation and Experiments
inferredcites →https://doi.org/10.1021/acs.jpcb.8b03655openalex-extracted
Assessing the Performance of MM/PBSA, MM/GBSA, and QM–MM/GBSA Approaches on Protein/Carbohydrate Complexes: Effect of Implicit Solvent Models, QM Methods, and Entropic Contributions
inferredcites →https://doi.org/10.1021/acsomega.2c07619openalex-extracted
MetaDOCK: A Combinatorial Molecular Docking Approach
inferredcites →https://doi.org/10.1021/ci200617dopenalex-extracted
Ligand-Based Virtual Screening Approach Using a New Scoring Function
inferredcites →https://doi.org/10.1021/ja902302hopenalex-extracted
970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
inferredcites →https://doi.org/10.1021/jm030644sopenalex-extracted
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
inferredcites →https://doi.org/10.1021/jm300687eopenalex-extracted
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
inferredcites →https://doi.org/10.1038/aps.2009.159openalex-extracted
Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets
inferredcites →https://doi.org/10.1038/nrmicro2636openalex-extracted
Growth of Candida albicans hyphae
inferredcites →https://doi.org/10.1038/s41467-022-31201-xopenalex-extracted
Innate immune responses against the fungal pathogen Candida auris
inferredcites →https://doi.org/10.1038/s41598-017-04748-9openalex-extracted
Virtual Screening, pharmacophore development and structure based similarity search to identify inhibitors against IdeR, a transcription factor of Mycobacterium tuberculosis
inferredcites →https://doi.org/10.1038/s41598-021-91069-7openalex-extracted
Combination of consensus and ensemble docking strategies for the discovery of human dihydroorotate dehydrogenase inhibitors
inferredcites →https://doi.org/10.1038/s41598-022-17480-wopenalex-extracted
Absolute binding free energy calculations improve enrichment of actives in virtual compound screening
inferredcites →https://doi.org/10.1039/c5md00004aopenalex-extracted
Inhibition of insulin amyloid fibrillization by glyco-acridines: an in vitro and in silico study
inferredcites →https://doi.org/10.1039/d1ra07845copenalex-extracted
In silico analysis of SARS-CoV-2 papain-like protease potential inhibitors
inferredcites →https://doi.org/10.1063/5.0018516openalex-extracted
Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS
inferredcites →https://doi.org/10.1080/07391102.2012.732341openalex-extracted
A novel and efficient ligand-based virtual screening approach using the HWZ scoring function and an enhanced shape-density model
inferredcites →https://doi.org/10.1080/07391102.2016.1165736openalex-extracted
Deciphering the mechanism behind the varied binding activities of COXIBs through Molecular Dynamic Simulations, MM-PBSA binding energy calculations and per-residue energy decomposition studies
inferredcites →https://doi.org/10.1080/07391102.2020.1766572openalex-extracted
Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors
inferredcites →https://doi.org/10.1080/07391102.2020.1796791openalex-extracted
Pharmacophore-based virtual screening and molecular docking to identify promising dual inhibitors of human acetylcholinesterase and butyrylcholinesterase
inferredcites →https://doi.org/10.1080/0972060x.2014.963169openalex-extracted
Evaluation of Antibacterial, Antifungal, and Anticancer Activities of Essential Oils from Six Species ofEucalyptus
inferredcites →https://doi.org/10.1080/14756366.2021.1885396openalex-extracted
In silico identification of novel SARS-COV-2 2′-O-methyltransferase (nsp16) inhibitors: structure-based virtual screening, molecular dynamics simulation and MM-PBSA approaches
inferredcites →https://doi.org/10.1093/bioinformatics/btu692openalex-extracted
LIGSIFT: an open-source tool for ligand structural alignment and virtual screening
inferredcites →https://doi.org/10.1093/jac/dkn515openalex-extracted
Effect of tunicamycin on Candida albicans biofilm formation and maintenance
inferredcites →https://doi.org/10.1093/jac/dkw252openalex-extracted
Positive regulation of the Candida albicans multidrug efflux pump Cdr1p function by phosphorylation of its N-terminal extension
inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-extracted
The Protein Data Bank
inferredcites →https://doi.org/10.1099/jmm.0.000082openalex-extracted
Antifungal activity of clotrimazole against Candida albicans depends on carbon sources, growth phase and morphology
inferredcites →https://doi.org/10.1099/mic.0.000499openalex-extracted
Microbe Profile: Candida albicans: a shape-changing, opportunistic pathogenic fungus of humans
inferredcites →https://doi.org/10.1111/j.1439-0507.1994.tb00281.xopenalex-extracted
Comparison of in vitro antifungal activity of itraconazole and hydroxy‐itraconazole by colorimetric MTT assay
inferredcites →https://doi.org/10.1111/j.1439-0507.1998.tb00709.xopenalex-extracted
Colorimetric MTT assessment of antifungal activity of D0870 against fluconazole‐resistant Candida albicans: Kolorimetrischer MTT‐Test zum Nachweis antimyzetischer Aktivität von D0870 gegen Fluconazol‐resistente Candida albicans‐Stämme
inferredcites →https://doi.org/10.1111/myc.13475openalex-extracted
Machine‐learning‐based virtual screening to repurpose drugs for treatment of Candida albicans infection
inferredcites →https://doi.org/10.1155/2015/870389openalex-extracted
Virtual Screening of Acetylcholinesterase Inhibitors Using the Lipinski’s Rule of Five and ZINC Databank
inferredcites →https://doi.org/10.1155/2021/6668985openalex-extracted
Deep Learning Approach for Discovery of In Silico Drugs for Combating COVID-19
inferredcites →https://doi.org/10.1186/1756-0500-5-114openalex-extracted
Enumeration of Mycobacterium avium subsp. paratuberculosis by quantitative real-time PCR, culture on solid media and optical densitometry
inferredcites →https://doi.org/10.1186/1758-2946-3-33openalex-extracted
Open Babel: An open chemical toolbox
inferredcites →https://doi.org/10.1186/s12951-015-0147-8openalex-extracted
Effect of silver nanoparticles on Candida albicans biofilms: an ultrastructural study
inferredcites →https://doi.org/10.1186/s13321-015-0100-8openalex-extracted
Predictiveness curves in virtual screening
inferredcites →https://doi.org/10.1186/s13321-019-0362-7openalex-extracted
DockRMSD: an open-source tool for atom mapping and RMSD calculation of symmetric molecules through graph isomorphism
inferredcites →https://doi.org/10.1186/s13321-019-0394-zopenalex-extracted
ACID: a free tool for drug repurposing using consensus inverse docking strategy
inferredcites →https://doi.org/10.1371/journal.pcbi.1003571openalex-extracted
rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids
inferredcites →https://doi.org/10.1371/journal.pone.0155183openalex-extracted
Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening
inferredcites →https://doi.org/10.1371/journal.pone.0294236openalex-extracted
SRplot: A free online platform for data visualization and graphing
inferredcites →https://doi.org/10.1517/17460441.2016.1117070openalex-extracted
An overview of molecular fingerprint similarity search in virtual screening
inferredcites →https://doi.org/10.1590/0074-02760160294openalex-extracted
Culture media profoundly affect Candida albicans and Candida tropicalis growth, adhesion and biofilm development
inferredcites →https://doi.org/10.2174/092986706779026165openalex-extracted
Towards Predictive Ligand Design With Free-Energy Based Computational Methods?
inferredcites →https://doi.org/10.3109/10409239409086800openalex-extracted
The Protonmotive Q Cycle in Mitochondria and Bacteria
inferredcites →https://doi.org/10.3389/fchem.2021.709932openalex-extracted
Inhibition of GSK_3β by Iridoid Glycosides of Snowberry (Symphoricarpos albus) Effective in the Treatment of Alzheimer’s Disease Using Computational Drug Design Methods
inferredcites →https://doi.org/10.3389/fcimb.2023.1136698openalex-extracted
QCR7 affects the virulence of Candida albicans and the uptake of multiple carbon sources present in different host niches
inferredcites →https://doi.org/10.3389/fonc.2018.00494openalex-extracted
Metabolomics of Non-muscle Invasive Bladder Cancer: Biomarkers for Early Detection of Bladder Cancer
inferredcites →https://doi.org/10.3390/biom11050653openalex-extracted
Computational Identification of Potential Anti-Inflammatory Natural Compounds Targeting the p38 Mitogen-Activated Protein Kinase (MAPK): Implications for COVID-19-Induced Cytokine Storm
inferredcites →https://doi.org/10.3390/ijms21176166openalex-extracted
Development of Charge-Augmented Three-Point Water Model (CAIPi3P) for Accurate Simulations of Intrinsically Disordered Proteins
inferredcites →https://doi.org/10.3390/ijms21218339openalex-extracted
Antibiofilm Activity on Candida albicans and Mechanism of Action on Biomembrane Models of the Antimicrobial Peptide Ctn[15–34]
inferredcites →https://doi.org/10.3390/ijms22031164openalex-extracted
Comparative Study of Interactions between Human cGAS and Inhibitors: Insights from Molecular Dynamics and MM/PBSA Studies
inferredcites →https://doi.org/10.3390/life12111743openalex-extracted
Inferring Therapeutic Targets in Candida albicans and Possible Inhibition through Natural Products: A Binding and Physiological Based Pharmacokinetics Snapshot
inferredcites →https://doi.org/10.3390/molecules26216426openalex-extracted
Identification of Potential Inhibitors of MurD Enzyme of Staphylococcus aureus from a Marine Natural Product Library
inferredcites →https://doi.org/10.4155/fmc-2023-0084openalex-extracted
Computational Insights Into Novel Inhibitor Indole-Heterocycle Specific Against Glycogen Phosphorylase Isoenzymes Interaction Mechanism
inferredcites →https://doi.org/10.48550/arxiv.2103.11357openalex-extracted
Deep ROC Analysis and AUC as Balanced Average Accuracy to Improve Model Selection, Understanding and Interpretation
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.