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Assessment of a Novel Scoring Method Based on Solvent Accessible Surface Area Descriptors
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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/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/10.1016/j.bmc.2007.08.019openalex-snapshot
Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors
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.jmgm.2005.08.002openalex-snapshot
Exploring protein–ligand recognition with Binding MOAD
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Drug-like properties and the causes of poor solubility and poor permeability
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Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
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Virtual Screening Using Protein−Ligand Docking: Avoiding Artificial Enrichment
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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sc-PDB: an Annotated Database of Druggable Binding Sites from the Protein Data Bank
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Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints
inferredcites →https://doi.org/10.1021/cr00023a004openalex-snapshot
Free energy calculations: Applications to chemical and biochemical phenomena
inferredcites →https://doi.org/10.1021/jm030331xopenalex-snapshot
Structural Interaction Fingerprint (SIFt): A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions
inferredcites →https://doi.org/10.1021/jm050306mopenalex-snapshot
Evaluating the Molecular Mechanics Poisson−Boltzmann Surface Area Free Energy Method Using a Congeneric Series of Ligands to p38 MAP Kinase
inferredcites →https://doi.org/10.1021/jm0608356openalex-snapshot
Benchmarking Sets for Molecular Docking
inferredcites →https://doi.org/10.1021/jm8001058openalex-snapshot
Assessment of Scaffold Hopping Efficiency by Use of Molecular Interaction Fingerprints
inferredcites →https://doi.org/10.1021/jm801427ropenalex-snapshot
Exploiting the Pyrazolo[3,4-d]pyrimidin-4-one Ring System as a Useful Template To Obtain Potent Adenosine Deaminase Inhibitors
inferredcites →https://doi.org/10.1021/jm990352kopenalex-snapshot
Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
inferredcites →https://doi.org/10.1023/a:1010920819831openalex-snapshot
A Simple Generalisation of the Area Under the ROC Curve for Multiple Class Classification Problems
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Virtual screening of chemical libraries
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Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism
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Analytical approximation to the accessible surface area of proteins
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Bayesian methods in bioinformatics and computational systems biology
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A new method for predicting binding affinity in computer-aided drug design
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Latest developments in molecular docking: 2010–2011 in review
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QSE: A new 3‐D solvent exposure measure for the analysis of protein structure
inferred← citeshttps://doi.org/10.1002/prot.24682openalex-snapshot
Accurate single-sequence prediction of solvent accessible surface area using local and global features
inferred← citeshttps://doi.org/10.1007/978-1-4939-2239-0_10openalex-snapshot
GENN: A GEneral Neural Network for Learning Tabulated Data with Examples from Protein Structure Prediction
inferred← citeshttps://doi.org/10.1007/978-1-4939-6406-2_10openalex-snapshot
Fast and Accurate Accessible Surface Area Prediction Without a Sequence Profile
inferred← citeshttps://doi.org/10.1007/978-1-4939-6406-2_5openalex-snapshot
Accurate Prediction of One-Dimensional Protein Structure Features Using SPINE-X
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Exploring the free-energy landscape of carbohydrate–protein complexes: development and validation of scoring functions considering the binding-site topology
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Discovery of a potential CERS2 inhibitor: hit compound identification via structure—based virtual screening and molecular dynamics simulations
inferred← citeshttps://doi.org/10.1016/j.biochi.2011.06.014openalex-snapshot
Conformational studies and solvent-accessible surface area analysis of known selective DNA G-Quadruplex binders
inferred← citeshttps://doi.org/10.1016/j.chphi.2024.100615openalex-snapshot
QM, molecular docking and molecular dynamics investigation on acidic phospholipase A2 2 protein and acidic phospholipase A2 3 protein with silane dimethyl
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inferred← citeshttps://doi.org/10.1016/j.ymeth.2014.11.015openalex-snapshot
Benchmarking methods and data sets for ligand enrichment assessment in virtual screening
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00545openalex-snapshot
Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein–Protein Interfaces
inferred← citeshttps://doi.org/10.1021/ml100163sopenalex-snapshot
Design of a High Fragment Efficiency Library by Molecular Graph Theory
inferred← citeshttps://doi.org/10.1039/c4ra16617eopenalex-snapshot
Exploring the binding properties of agonists interacting with human TGR5 using structural modeling, molecular docking and dynamics simulations
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Computational identification of potential modulators of heme-regulated inhibitor (HRI) for pharmacological intervention against sickle cell disease
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A Review of Methods Available to Estimate Solvent-Accessible Surface Areas of Soluble Proteins in the Folded and Unfolded States
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A Hybrid Docking and Machine Learning Approach to Enhance the Performance of Virtual Screening Carried out on Protein–Protein Interfaces
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