These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

215 related articles for article (PubMed ID: 36065847)

  • 21. Ensemble learning from ensemble docking: revisiting the optimum ensemble size problem.
    Mohammadi S; Narimani Z; Ashouri M; Firouzi R; Karimi-Jafari MH
    Sci Rep; 2022 Jan; 12(1):410. PubMed ID: 35013496
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Multi-state modeling of G-protein coupled receptors at experimental accuracy.
    Heo L; Feig M
    Proteins; 2022 Nov; 90(11):1873-1885. PubMed ID: 35510704
    [TBL] [Abstract][Full Text] [Related]  

  • 23. GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.
    Ding Y; Fang Y; Feinstein WP; Ramanujam J; Koppelman DM; Moreno J; Brylinski M; Jarrell M
    J Comput Chem; 2015 Oct; 36(27):2013-26. PubMed ID: 26250822
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Energy-based graph convolutional networks for scoring protein docking models.
    Cao Y; Shen Y
    Proteins; 2020 Aug; 88(8):1091-1099. PubMed ID: 32144844
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Negative Image-Based Rescoring: Using Cavity Information to Improve Docking Screening.
    Pentikäinen OT; Postila PA
    Methods Mol Biol; 2021; 2266():141-154. PubMed ID: 33759125
    [TBL] [Abstract][Full Text] [Related]  

  • 26. An Overview of Scoring Functions Used for Protein-Ligand Interactions in Molecular Docking.
    Li J; Fu A; Zhang L
    Interdiscip Sci; 2019 Jun; 11(2):320-328. PubMed ID: 30877639
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Docking and Scoring with Target-Specific Pose Classifier Succeeds in Native-Like Pose Identification But Not Binding Affinity Prediction in the CSAR 2014 Benchmark Exercise.
    Politi R; Convertino M; Popov K; Dokholyan NV; Tropsha A
    J Chem Inf Model; 2016 Jun; 56(6):1032-41. PubMed ID: 27050767
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Are predicted protein structures of any value for binding site prediction and virtual ligand screening?
    Skolnick J; Zhou H; Gao M
    Curr Opin Struct Biol; 2013 Apr; 23(2):191-7. PubMed ID: 23415854
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships.
    Naqvi AAT; Mohammad T; Hasan GM; Hassan MI
    Curr Top Med Chem; 2018; 18(20):1755-1768. PubMed ID: 30360721
    [TBL] [Abstract][Full Text] [Related]  

  • 30. DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design.
    García-Ortegón M; Simm GNC; Tripp AJ; Hernández-Lobato JM; Bender A; Bacallado S
    J Chem Inf Model; 2022 Aug; 62(15):3486-3502. PubMed ID: 35849793
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA.
    Greenidge PA; Kramer C; Mozziconacci JC; Sherman W
    J Chem Inf Model; 2014 Oct; 54(10):2697-717. PubMed ID: 25266271
    [TBL] [Abstract][Full Text] [Related]  

  • 32. MILCDock: Machine Learning Enhanced Consensus Docking for Virtual Screening in Drug Discovery.
    Morris CJ; Stern JA; Stark B; Christopherson M; Della Corte D
    J Chem Inf Model; 2022 Nov; 62(22):5342-5350. PubMed ID: 36342217
    [TBL] [Abstract][Full Text] [Related]  

  • 33. The Art and Science of Molecular Docking.
    Paggi JM; Pandit A; Dror RO
    Annu Rev Biochem; 2024 Aug; 93(1):389-410. PubMed ID: 38594926
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces.
    Singh N; Chaput L; Villoutreix BO
    J Chem Inf Model; 2020 Aug; 60(8):3910-3934. PubMed ID: 32786511
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Deciphering the Interactions of Bioactive Compounds in Selected Traditional Medicinal Plants against Alzheimer's Diseases via Pharmacophore Modeling, Auto-QSAR, and Molecular Docking Approaches.
    Ojo OA; Ojo AB; Okolie C; Nwakama MC; Iyobhebhe M; Evbuomwan IO; Nwonuma CO; Maimako RF; Adegboyega AE; Taiwo OA; Alsharif KF; Batiha GE
    Molecules; 2021 Apr; 26(7):. PubMed ID: 33915968
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
    Graves AP; Shivakumar DM; Boyce SE; Jacobson MP; Case DA; Shoichet BK
    J Mol Biol; 2008 Mar; 377(3):914-34. PubMed ID: 18280498
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Benchmarking Cross-Docking Strategies for Structure-Informed Machine Learning in Kinase Drug Discovery.
    Schaller D; Christ CD; Chodera JD; Volkamer A
    bioRxiv; 2023 Sep; ():. PubMed ID: 37745489
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning.
    Ricci-Lopez J; Aguila SA; Gilson MK; Brizuela CA
    J Chem Inf Model; 2021 Nov; 61(11):5362-5376. PubMed ID: 34652141
    [TBL] [Abstract][Full Text] [Related]  

  • 39. GPCR homology model template selection benchmarking: Global versus local similarity measures.
    Castleman PN; Sears CK; Cole JA; Baker DL; Parrill AL
    J Mol Graph Model; 2019 Jan; 86():235-246. PubMed ID: 30390544
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Molecular docking with conformer-dependent charges.
    Zhao H; Sun L; Zhang D; Hu X; Deng W
    Phys Chem Chem Phys; 2024 Aug; 26(34):22598-22610. PubMed ID: 39158190
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 11.