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Distance Dependent Scoring Function for Describing Protein−Ligand Intermolecular Interactions
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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)1099-1352(199603)9:2<175::aid-jmr260>3.0.co;2-dopenalex-snapshot
Molecular docking towards drug discovery
inferredcites →https://doi.org/10.1002/1521-3773(20020802)41:15<2644::aid-anie2644>3.0.co;2-oopenalex-snapshot
Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors
inferredcites →https://doi.org/10.1002/9780470125885openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1006/jmbi.1999.3371openalex-snapshot
Knowledge-based scoring function to predict protein-ligand interactions
inferredcites →https://doi.org/10.1021/ci010025xopenalex-snapshot
How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment
inferredcites →https://doi.org/10.1021/ci050036gopenalex-snapshot
POEM: Parameter Optimization Using Ensemble Methods: Application to Target Specific Scoring Functions
inferredcites →https://doi.org/10.1021/ja00092a006openalex-snapshot
Multiple Highly Diverse Structures Complementary to Enzyme Binding Sites: Results of Extensive Application of a de Novo Design Method Incorporating Combinatorial Growth
inferredcites →https://doi.org/10.1021/jm0200299openalex-snapshot
Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. 1. Models without Explicit Constrained Water
inferredcites →https://doi.org/10.1021/jm060763iopenalex-snapshot
Contribution of Conformer Focusing to the Uncertainty in Predicting Free Energies for Protein−Ligand Binding
inferredcites →https://doi.org/10.1021/jp973084fopenalex-snapshot
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
inferredcites →https://doi.org/10.1023/a:1007996124545openalex-snapshot
Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
inferredcites →https://doi.org/10.1023/a:1007999920146openalex-snapshot
Prediction of binding constants of protein ligands: A fast method for the prioritization of hits obtained from de novo design or 3D database search programs
inferredcites →https://doi.org/10.1023/a:1012976623974openalex-snapshot
Prediction of Physical Properties of Organic Compounds Using Artificial Neural Networks within the Substructure Approach
inferredcites →https://doi.org/10.1023/a:1015408423459openalex-snapshot
Neural-Network Model of the Lipophilicity of Organic Compounds Based on Fragment Descriptors
inferredcites →https://doi.org/10.1023/a:1022467508832openalex-snapshot
Artificial neural network and fragmental approach in prediction of physicochemical properties of organic compounds
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/chin.200824197openalex-snapshot
ChemInform Abstract: Distance Dependent Scoring Function for Describing Protein—Ligand Intermolecular Interactions.
inferred← citeshttps://doi.org/10.1002/fsn3.72244openalex-snapshot
Phytochemical Characterization of Euphorbia peplis Extracts and Their Antioxidant, Enzyme Inhibitory, and Cytotoxic Activities: An Integrated Experimental and In Silico Study
inferred← citeshttps://doi.org/10.1002/prot.22415openalex-snapshot
Automated site preparation in physics‐based rescoring of receptor ligand complexes
inferred← citeshttps://doi.org/10.1002/wcms.1225openalex-snapshot
Machine‐learning scoring functions to improve structure‐based binding affinity prediction and virtual screening
inferred← citeshttps://doi.org/10.1007/978-1-0716-1787-8_11openalex-snapshot
Deep Learning in Structure-Based Drug Design
inferred← citeshttps://doi.org/10.1016/b978-0-12-822312-3.00004-7openalex-snapshot
Post-processing of Docking Results: Tools and Strategies
inferred← citeshttps://doi.org/10.1021/ci100244vopenalex-snapshot
NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein−Ligand Complexes
inferred← citeshttps://doi.org/10.1021/ci100473dopenalex-snapshot
Global Free Energy Scoring Functions Based on Distance-Dependent Atom-Type Pair Descriptors
inferred← citeshttps://doi.org/10.1021/ci500647fopenalex-snapshot
An Accurate Metalloprotein-Specific Scoring Function and Molecular Docking Program Devised by a Dynamic Sampling and Iteration Optimization Strategy
inferred← citeshttps://doi.org/10.1021/ct4004228openalex-snapshot
One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery
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A rapid identification of hit molecules for target proteins via physico-chemical descriptors
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Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
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Salvia limbata extracts and essential oil as a novel source of bioactive agents: metabolomic fingerprint, in vitro , in silico and network pharmacological perspectives
inferred← citeshttps://doi.org/10.1093/bib/bbaa107openalex-snapshot
Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions
inferred← citeshttps://doi.org/10.1093/bib/bbab054openalex-snapshot
Machine learning on ligand-residue interaction profiles to significantly improve binding affinity prediction
inferred← citeshttps://doi.org/10.1093/bioinformatics/btab132openalex-snapshot
Proteo-chemometrics interaction fingerprints of protein–ligand complexes predict binding affinity
inferred← citeshttps://doi.org/10.1109/icisa.2010.5480392openalex-snapshot
Determination of Water Content in Automobile Lubricant Using Near-Infrared Spectroscopy Improved by Machine Learning Analysis
inferred← citeshttps://doi.org/10.19080/omcij.2016.01.555567openalex-snapshot
Computer Aided Drug Design: A Novel Loom To Drug Discovery
inferred← citeshttps://doi.org/10.19080/omcij.2017.01.555567openalex-snapshot
Computer Aided Drug Design: A Novel Loom To Drug Discovery
inferred← citeshttps://doi.org/10.32657/10220/48075openalex-snapshot
Progesterone receptor ligand binding domain : from conformational dynamics to drug discovery
inferred← citeshttps://doi.org/10.3389/fbinf.2022.885983openalex-snapshot
Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review
inferred← citeshttps://doi.org/10.3389/fphar.2018.01089openalex-snapshot
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
inferred← citeshttps://doi.org/10.3762/bjoc.12.267openalex-snapshot
Computational methods in drug discovery
inferred← citeshttps://doi.org/10.70675/00fff70azab21z46edz8364z60031c95c00fopenalex-snapshot
Applications of proteochemometrics (PCM) : from species extrapolation to cell-line sensitivity modelling
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