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 *

199 related articles for article (PubMed ID: 35235748)

  • 21. Protein flexibility in ligand docking and virtual screening to protein kinases.
    Cavasotto CN; Abagyan RA
    J Mol Biol; 2004 Mar; 337(1):209-25. PubMed ID: 15001363
    [TBL] [Abstract][Full Text] [Related]  

  • 22. D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU.
    Santos-Martins D; Eberhardt J; Bianco G; Solis-Vasquez L; Ambrosio FA; Koch A; Forli S
    J Comput Aided Mol Des; 2019 Dec; 33(12):1071-1081. PubMed ID: 31691920
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Deep Learning Model for Efficient Protein-Ligand Docking with Implicit Side-Chain Flexibility.
    Masters MR; Mahmoud AH; Wei Y; Lill MA
    J Chem Inf Model; 2023 Mar; 63(6):1695-1707. PubMed ID: 36916514
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Machine-learning scoring functions for identifying native poses of ligands docked to known and novel proteins.
    Ashtawy HM; Mahapatra NR
    BMC Bioinformatics; 2015; 16 Suppl 6(Suppl 6):S3. PubMed ID: 25916860
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
    Fischer M; Coleman RG; Fraser JS; Shoichet BK
    Nat Chem; 2014 Jul; 6(7):575-83. PubMed ID: 24950326
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Free Energy Calculations Using the Movable Type Method with Molecular Dynamics Driven Protein-Ligand Sampling.
    Liu W; Liu Z; Liu H; Westerhoff LM; Zheng Z
    J Chem Inf Model; 2022 Nov; 62(22):5645-5665. PubMed ID: 36282990
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Surflex-Dock: Docking benchmarks and real-world application.
    Spitzer R; Jain AN
    J Comput Aided Mol Des; 2012 Jun; 26(6):687-99. PubMed ID: 22569590
    [TBL] [Abstract][Full Text] [Related]  

  • 28. A pose prediction approach based on ligand 3D shape similarity.
    Kumar A; Zhang KY
    J Comput Aided Mol Des; 2016 Jun; 30(6):457-69. PubMed ID: 27379501
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power.
    Wang Z; Sun H; Yao X; Li D; Xu L; Li Y; Tian S; Hou T
    Phys Chem Chem Phys; 2016 May; 18(18):12964-75. PubMed ID: 27108770
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Pose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel-Ligand Docking.
    Shim H; Kim H; Allen JE; Wulff H
    J Chem Inf Model; 2022 May; 62(10):2301-2315. PubMed ID: 35447030
    [TBL] [Abstract][Full Text] [Related]  

  • 31. CANDOCK: Chemical Atomic Network-Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials.
    Fine J; Konc J; Samudrala R; Chopra G
    J Chem Inf Model; 2020 Mar; 60(3):1509-1527. PubMed ID: 32069042
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Novel inhibitor discovery through virtual screening against multiple protein conformations generated via ligand-directed modeling: a maternal embryonic leucine zipper kinase example.
    Mahasenan KV; Li C
    J Chem Inf Model; 2012 May; 52(5):1345-55. PubMed ID: 22540736
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Target-specific native/decoy pose classifier improves the accuracy of ligand ranking in the CSAR 2013 benchmark.
    Fourches D; Politi R; Tropsha A
    J Chem Inf Model; 2015 Jan; 55(1):63-71. PubMed ID: 25521713
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0.
    Shin WH; Kihara D
    J Comput Aided Mol Des; 2019 Dec; 33(12):1083-1094. PubMed ID: 31506789
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Protein-protein docking with multiple residue conformations and residue substitutions.
    Lorber DM; Udo MK; Shoichet BK
    Protein Sci; 2002 Jun; 11(6):1393-408. PubMed ID: 12021438
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Protein Binding Pocket Optimization for Virtual High-Throughput Screening (vHTS) Drug Discovery.
    Gazgalis D; Zaka M; Abbasi BH; Logothetis DE; Mezei M; Cui M
    ACS Omega; 2020 Jun; 5(24):14297-14307. PubMed ID: 32596567
    [TBL] [Abstract][Full Text] [Related]  

  • 37. PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions.
    Kumar SP
    J Mol Graph Model; 2018 Jan; 79():194-212. PubMed ID: 29241118
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape.
    Basciu A; Malloci G; Pietrucci F; Bonvin AMJJ; Vargiu AV
    J Chem Inf Model; 2019 Apr; 59(4):1515-1528. PubMed ID: 30883122
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Ranking docking poses by graph matching of protein-ligand interactions: lessons learned from the D3R Grand Challenge 2.
    da Silva Figueiredo Celestino Gomes P; Da Silva F; Bret G; Rognan D
    J Comput Aided Mol Des; 2018 Jan; 32(1):75-87. PubMed ID: 28766097
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Correcting the impact of docking pose generation error on binding affinity prediction.
    Li H; Leung KS; Wong MH; Ballester PJ
    BMC Bioinformatics; 2016 Sep; 17(Suppl 11):308. PubMed ID: 28185549
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 10.