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Molecular Docking Using the Molecular Lipophilicity Potential as Hydrophobic Descriptor: Impact on GOLD Docking Performance
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470125885.ch5openalex-snapshot
Computational Approaches to Lipophilicity: Methods and Applications
inferredcites →https://doi.org/10.1002/jcc.21498openalex-snapshot
Evaluation of the performance of four molecular docking programs on a diverse set of protein‐ligand complexes
inferredcites →https://doi.org/10.1002/jcc.540100804openalex-snapshot
Validation of the general purpose tripos 5.2 force field
inferredcites →https://doi.org/10.1002/prot.10465openalex-snapshot
Improved protein–ligand docking using GOLD
inferredcites →https://doi.org/10.1002/prot.20088openalex-snapshot
A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance
inferredcites →https://doi.org/10.1002/prot.21082openalex-snapshot
Protein–ligand docking: Current status and future challenges
inferredcites →https://doi.org/10.1006/jmbi.1996.0897openalex-snapshot
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
inferredcites →https://doi.org/10.1007/bf00119860openalex-snapshot
Molecular Lipophilicity Potential, a tool in 3D QSAR: Method and applications
inferredcites →https://doi.org/10.1007/bf00124359openalex-snapshot
A new approach to analysis and display of local lipophilicity/hydrophilicity mapped on molecular surfaces
inferredcites →https://doi.org/10.1007/s10822-006-9060-4openalex-snapshot
Development and validation of a modular, extensible docking program: DOCK 5
inferredcites →https://doi.org/10.1007/s10822-007-9114-2openalex-snapshot
Surflex-Dock 2.1: Robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search
inferredcites →https://doi.org/10.1007/s10822-007-9166-3openalex-snapshot
How to do an evaluation: pitfalls and traps
inferredcites →https://doi.org/10.1016/0958-1669(95)80107-3openalex-snapshot
Docking small-molecule ligands into active sites
inferredcites →https://doi.org/10.1016/j.drudis.2006.05.012openalex-snapshot
Virtual ligand screening: strategies, perspectives and limitations
inferredcites →https://doi.org/10.1016/j.jmb.2006.05.074openalex-snapshot
Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition
inferredcites →https://doi.org/10.1016/s0166-1280(99)00360-7openalex-snapshot
Molecular fields in quantitative structure–permeation relationships: the VolSurf approach
inferredcites →https://doi.org/10.1016/s0223-5234(00)00167-7openalex-snapshot
Hydrophobicity: is LogPo/w more than the sum of its parts?
inferredcites →https://doi.org/10.1016/s0263-7855(97)00010-6openalex-snapshot
Knowledge-based modeling of a legume lectin and docking of the carbohydrate ligand: The Ulex europaeus lectin I and its interaction with fucose
inferredcites →https://doi.org/10.1016/s0263-7855(98)80004-0openalex-snapshot
Estimating and representing hydrophobicity potential
inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
inferredcites →https://doi.org/10.1021/jm021080fopenalex-snapshot
Thyroid Receptor Ligands. 1. Agonist Ligands Selective for the Thyroid Receptor β1
inferredcites →https://doi.org/10.1021/jm049798dopenalex-snapshot
Comparison of Automated Docking Programs as Virtual Screening Tools
inferredcites →https://doi.org/10.1021/jm060441eopenalex-snapshot
Impact of Species-Dependent Differences on Screening, Design, and Development of MAO B Inhibitors
inferredcites →https://doi.org/10.1021/jm061277yopenalex-snapshot
Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
inferredcites →https://doi.org/10.1023/a:1011107422318openalex-snapshot
Substructure and whole molecule approaches for calculating log P
inferredcites →https://doi.org/10.1023/a:1016024005429openalex-snapshot
Lipophilicity in Molecular Modeling
inferredcites →https://doi.org/10.1023/a:1020155510718openalex-snapshot
A review of protein-small molecule docking methods
inferredcites →https://doi.org/10.1038/nature04162openalex-snapshot
Interfaces and the driving force of hydrophobic assembly
inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
Docking and scoring in virtual screening for drug discovery: methods and applications
inferredcites →https://doi.org/10.1073/pnas.0606422103openalex-snapshot
Recent progress in understanding hydrophobic interactions
inferredcites →https://doi.org/10.1073/pnas.87.15.5648openalex-snapshot
Where metal ions bind in proteins.
inferredcites →https://doi.org/10.1088/0964-1726/11/5/323openalex-snapshot
Predicting surface properties of proteins on the Connolly molecular surface
inferredcites →https://doi.org/10.1146/annurev.physchem.53.090401.093500openalex-snapshot
M OLECULAR T HEORY OF H YDROPHOBIC E FFECTS : “She is too mean to have her name repeated.”
inferredcites →https://doi.org/10.2174/092986707779941050openalex-snapshot
Molecular Lipophilicity in Protein Modeling and Drug Design
inferredcites →https://doi.org/10.2174/138920307781369382openalex-snapshot
Structure-Based Drug Design: Docking and Scoring
inferredcites →https://doi.org/10.2174/156802610790232233openalex-snapshot
Hydrophobicity - Shake Flasks, Protein Folding and Drug Discovery
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