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 *

412 related articles for article (PubMed ID: 29132080)

  • 1. New approaches for computing ligand-receptor binding kinetics.
    Bruce NJ; Ganotra GK; Kokh DB; Sadiq SK; Wade RC
    Curr Opin Struct Biol; 2018 Apr; 49():1-10. PubMed ID: 29132080
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structure-kinetic relationships that control the residence time of drug-target complexes: insights from molecular structure and dynamics.
    Lu H; Iuliano JN; Tonge PJ
    Curr Opin Chem Biol; 2018 Jun; 44():101-109. PubMed ID: 29986213
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Absolute Alchemical Free Energy Calculations for Ligand Binding: A Beginner's Guide.
    Aldeghi M; Bluck JP; Biggin PC
    Methods Mol Biol; 2018; 1762():199-232. PubMed ID: 29594774
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Computational modeling approaches to quantitative structure-binding kinetics relationships in drug discovery.
    De Benedetti PG; Fanelli F
    Drug Discov Today; 2018 Jul; 23(7):1396-1406. PubMed ID: 29574212
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Protein structure-based drug design: from docking to molecular dynamics.
    Śledź P; Caflisch A
    Curr Opin Struct Biol; 2018 Feb; 48():93-102. PubMed ID: 29149726
    [TBL] [Abstract][Full Text] [Related]  

  • 6. OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules.
    Roos K; Wu C; Damm W; Reboul M; Stevenson JM; Lu C; Dahlgren MK; Mondal S; Chen W; Wang L; Abel R; Friesner RA; Harder ED
    J Chem Theory Comput; 2019 Mar; 15(3):1863-1874. PubMed ID: 30768902
    [TBL] [Abstract][Full Text] [Related]  

  • 7. In Silico Target Druggability Assessment: From Structural to Systemic Approaches.
    Trosset JY; Cavé C
    Methods Mol Biol; 2019; 1953():63-88. PubMed ID: 30912016
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Applications of the NRGsuite and the Molecular Docking Software FlexAID in Computational Drug Discovery and Design.
    Morency LP; Gaudreault F; Najmanovich R
    Methods Mol Biol; 2018; 1762():367-388. PubMed ID: 29594781
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Dynamic Docking: A Paradigm Shift in Computational Drug Discovery.
    Gioia D; Bertazzo M; Recanatini M; Masetti M; Cavalli A
    Molecules; 2017 Nov; 22(11):. PubMed ID: 29165360
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Molecular fields in ligand discovery.
    Gane PJ; Chan AW
    Methods Mol Biol; 2013; 1008():479-99. PubMed ID: 23729264
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Toward High-Throughput Predictive Modeling of Protein Binding/Unbinding Kinetics.
    Chiu SH; Xie L
    J Chem Inf Model; 2016 Jun; 56(6):1164-74. PubMed ID: 27159844
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The prediction of protein-ligand unbinding for modern drug discovery.
    Zhang Q; Zhao N; Meng X; Yu F; Yao X; Liu H
    Expert Opin Drug Discov; 2022 Feb; 17(2):191-205. PubMed ID: 34731059
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular-Simulation-Driven Fragment Screening for the Discovery of New CXCL12 Inhibitors.
    Martinez-Rosell G; Harvey MJ; De Fabritiis G
    J Chem Inf Model; 2018 Mar; 58(3):683-691. PubMed ID: 29481075
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Discovery of a novel selective PPARγ ligand with partial agonist binding properties by integrated in silico/in vitro work flow.
    Kouskoumvekaki I; Petersen RK; Fratev F; Taboureau O; Nielsen TE; Oprea TI; Sonne SB; Flindt EN; Jónsdóttir SÓ; Kristiansen K
    J Chem Inf Model; 2013 Apr; 53(4):923-37. PubMed ID: 23432662
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations.
    Polishchuk P; Kutlushina A; Bashirova D; Mokshyna O; Madzhidov T
    Int J Mol Sci; 2019 Nov; 20(23):. PubMed ID: 31757043
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations.
    Cournia Z; Allen B; Sherman W
    J Chem Inf Model; 2017 Dec; 57(12):2911-2937. PubMed ID: 29243483
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Protein-Ligand Binding Free Energy Calculations with FEP.
    Wang L; Chambers J; Abel R
    Methods Mol Biol; 2019; 2022():201-232. PubMed ID: 31396905
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Applying thermodynamic profiling in lead finding and optimization.
    Klebe G
    Nat Rev Drug Discov; 2015 Feb; 14(2):95-110. PubMed ID: 25614222
    [TBL] [Abstract][Full Text] [Related]  

  • 20. LIBSA--a method for the determination of ligand-binding preference to allosteric sites on receptor ensembles.
    Hocker HJ; Rambahal N; Gorfe AA
    J Chem Inf Model; 2014 Feb; 54(2):530-8. PubMed ID: 24437606
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 21.