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Cross-Docking of Inhibitors into CDK2 Structures. 1
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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/bip.20868openalex-snapshot
Structure‐guided discovery of cyclin‐dependent kinase inhibitors
inferredcites →https://doi.org/10.1002/cbic.200400214openalex-snapshot
Loop Flexibility and Solvent Dynamics as Determinants for the Selective Inhibition of Cyclin‐Dependent Kinase 4: Comparative Molecular Dynamics Simulation Studies of CDK2 and CDK4
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/10.1006/jmbi.1999.2640openalex-snapshot
Mechanisms of cyclin-dependent kinase regulation: structures of cdks, their cyclin activators, and cip and INK4 inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2007.09.018openalex-snapshot
Versatile templates for the development of novel kinase inhibitors: Discovery of novel CDK inhibitors
inferredcites →https://doi.org/10.1016/j.drudis.2007.03.006openalex-snapshot
Insights for the development of specific kinase inhibitors by targeted structural genomics
inferredcites →https://doi.org/10.1016/j.jmb.2004.01.003openalex-snapshot
Protein Flexibility in Ligand Docking and Virtual Screening to Protein Kinases
inferredcites →https://doi.org/10.1021/ci600460hopenalex-snapshot
Comments on the Article “On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors”
inferredcites →https://doi.org/10.1021/ci700428dopenalex-snapshot
Cross-Docking of Inhibitors into CDK2 Structures. 2
inferredcites →https://doi.org/10.1021/jm0306430openalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
inferredcites →https://doi.org/10.1021/jm049798dopenalex-snapshot
Comparison of Automated Docking Programs as Virtual Screening Tools
inferredcites →https://doi.org/10.1021/jm050362nopenalex-snapshot
A Critical Assessment of Docking Programs and Scoring Functions
inferredcites →https://doi.org/10.1021/jm051256oopenalex-snapshot
Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes
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/10.1038/26155openalex-snapshot
Structural basis for inhibition of the cyclin-dependent kinase Cdk6 by the tumour suppressor p16INK4a
inferredcites →https://doi.org/10.1038/nature03197openalex-snapshot
Virtual screening of chemical libraries
inferredcites →https://doi.org/10.1073/pnas.0610494104openalex-snapshot
Ligand configurational entropy and protein binding
inferredcites →https://doi.org/10.1080/07391102.2002.10506853openalex-snapshot
Structural Analysis of the Inhibition of Cdk4 and Cdk6 by p16INK4athrough Molecular Dynamics Simulations
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527626816.ch17openalex-snapshot
Searching New Antiparasitics in Virtual Space
inferred← citeshttps://doi.org/10.1002/9783527633326.ch9openalex-snapshot
Handling Protein Flexibility in Docking and High‐Throughput Docking: From Algorithms to Applications
inferred← citeshttps://doi.org/10.1002/chin.200824204openalex-snapshot
ChemInform Abstract: Cross‐Docking of Inhibitors into CDK2 Structures. Part 1.
inferred← citeshttps://doi.org/10.1002/jcc.22948openalex-snapshot
Flexible protein‐ligand docking using the Fleksy protocol
inferred← citeshttps://doi.org/10.1002/jcc.24473openalex-snapshot
Exponential repulsion improves structural predictability of molecular docking
inferred← citeshttps://doi.org/10.1007/s00214-010-0857-9openalex-snapshot
Predicting binding energies of CDK6 inhibitors in the hit-to-lead process
inferred← citeshttps://doi.org/10.1007/s10822-010-9356-2openalex-snapshot
Chemical space sampling by different scoring functions and crystal structures
inferred← citeshttps://doi.org/10.1007/s10822-011-9413-5openalex-snapshot
Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors
inferred← citeshttps://doi.org/10.1007/s11224-018-1224-zopenalex-snapshot
Portraying the selectivity of GSK-3 inhibitors towards CDK-2 by 3D similarity and molecular docking
inferred← citeshttps://doi.org/10.1016/j.bmcl.2017.07.016openalex-snapshot
Discovery of a potent angiotensin converting enzyme inhibitor via virtual screening
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c00331openalex-snapshot
Can Deep Learning Blind Docking Methods be Used to Predict Allosteric Compounds?
inferred← citeshttps://doi.org/10.1021/ci300030uopenalex-snapshot
Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci5001604openalex-snapshot
Best of Both Worlds: On the Complementarity of Ligand-Based and Structure-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci5003735openalex-snapshot
Improving Docking Results via Reranking of Ensembles of Ligand Poses in Multiple X-ray Protein Conformations with MM-GBSA
inferred← citeshttps://doi.org/10.1021/ci8004034openalex-snapshot
Insights into the Structural Basis of N2 and O6 Substituted Guanine Derivatives as Cyclin-Dependent Kinase 2 (CDK2) Inhibitors: Prediction of the Binding Modes and Potency of the inhibitors by Docking and ONIOM Calculations
inferred← citeshttps://doi.org/10.1021/ci900022hopenalex-snapshot
QM/MM As a Tool in Fragment Based Drug Discovery. A Cross-Docking, Rescoring Study of Kinase Inhibitors
inferred← citeshttps://doi.org/10.1021/ct100246yopenalex-snapshot
Ensemble Docking from Homology Models
inferred← citeshttps://doi.org/10.1021/jm200593bopenalex-snapshot
Novel 1-Hydroxypiperazine-2,6-diones as New Leads in the Inhibition of Metalloproteinases
inferred← citeshttps://doi.org/10.1039/9781849735377-00171openalex-snapshot
Docking and Virtual Screening
inferred← citeshttps://doi.org/10.1039/9781849735377-00195openalex-snapshot
Binding Free Energy Calculation and Scoring in Small-Molecule Docking
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2010.01041.xopenalex-snapshot
Chemical Space Sampling in Virtual Screening by Different Crystal Structures
inferred← citeshttps://doi.org/10.1517/17460440903190961openalex-snapshot
High-throughput andin silicoscreenings in drug discovery
inferred← citeshttps://doi.org/10.3390/ijms151120403openalex-snapshot
The Discovery of Aurora Kinase Inhibitor by Multi-Docking-Based Virtual Screening
inferred← citeshttps://doi.org/10.3390/ph19081320openalex-snapshot
An Integrated Computational Workflow for Discovering Alkaloid-Derived Ligands of Cyclin-Dependent Kinase 2
inferred← citeshttps://doi.org/10.53879/id.56.06.11592openalex-snapshot
SELECTION OF BEST CRYSTAL STRUCTURE FOR INITIATING DOCKING-BASED VIRTUAL SCREENING STUDIES OF CDK2 INHIBITORS: A CROSS-DOCKING AND DUD SET VALIDATION APPROACH
inferred← citeshttps://doi.org/10.70675/7bce36a3zf761z41b4z8daaz3e5e7740dc71openalex-snapshot
Development of predictive approaches for biomolecular association kinetics
inferred← citeshttps://doi.org/10.7717/peerj.2757openalex-snapshot
Discovery of novel inhibitors disrupting HIF-1α/von Hippel–Lindau interaction through shape-based screening and cascade docking
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