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 *

159 related articles for article (PubMed ID: 27951634)

  • 1. Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling.
    Dickson CJ; Hornak V; Pearlstein RA; Duca JS
    J Am Chem Soc; 2017 Jan; 139(1):442-452. PubMed ID: 27951634
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules.
    Dickson CJ; Hornak V; Bednarczyk D; Duca JS
    J Chem Inf Model; 2019 Jan; 59(1):236-244. PubMed ID: 30540467
    [TBL] [Abstract][Full Text] [Related]  

  • 3. MDCKpred: a web-tool to calculate MDCK permeability coefficient of small molecule using membrane-interaction chemical features.
    Patel RD; Prasanth Kumar S; Pandya HA; Solanki HA
    Toxicol Mech Methods; 2018 Nov; 28(9):685-698. PubMed ID: 29998769
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Predicting MDCK cell permeation coefficients of organic molecules using membrane-interaction QSAR analysis.
    Chen LL; Yao J; Yang JB; Yang J
    Acta Pharmacol Sin; 2005 Nov; 26(11):1322-33. PubMed ID: 16225754
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Use of 3D properties to characterize beyond rule-of-5 property space for passive permeation.
    Guimarães CR; Mathiowetz AM; Shalaeva M; Goetz G; Liras S
    J Chem Inf Model; 2012 Apr; 52(4):882-90. PubMed ID: 22394163
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Prediction and mechanistic interpretation of human oral drug absorption using MI-QSAR analysis.
    Iyer M; Tseng YJ; Senese CL; Liu J; Hopfinger AJ
    Mol Pharm; 2007; 4(2):218-31. PubMed ID: 17397237
    [TBL] [Abstract][Full Text] [Related]  

  • 7. In silico modelling of permeation enhancement potency in Caco-2 monolayers based on molecular descriptors and random forest.
    Welling SH; Clemmensen LK; Buckley ST; Hovgaard L; Brockhoff PB; Refsgaard HH
    Eur J Pharm Biopharm; 2015 Aug; 94():152-9. PubMed ID: 26004819
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Predicting Passive Permeability of Drug-like Molecules from Chemical Structure: Where Are We?
    Broccatelli F; Salphati L; Plise E; Cheong J; Gobbi A; Lee ML; Aliagas I
    Mol Pharm; 2016 Dec; 13(12):4199-4208. PubMed ID: 27806577
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Predicting Caco-2 cell permeation coefficients of organic molecules using membrane-interaction QSAR analysis.
    Kulkarni A; Han Y; Hopfinger AJ
    J Chem Inf Comput Sci; 2002; 42(2):331-42. PubMed ID: 11911703
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: application to prediction of Caco-2 cell permeability.
    Fujikawa M; Ano R; Nakao K; Shimizu R; Akamatsu M
    Bioorg Med Chem; 2005 Aug; 13(15):4721-32. PubMed ID: 15936203
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Parameters for pyrethroid insecticide QSAR and PBPK/PD models for human risk assessment.
    Knaak JB; Dary CC; Zhang X; Gerlach RW; Tornero-Velez R; Chang DT; Goldsmith R; Blancato JN
    Rev Environ Contam Toxicol; 2012; 219():1-114. PubMed ID: 22610175
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Combined 4D-fingerprint and clustering based membrane-interaction QSAR analyses for constructing consensus Caco-2 cell permeation virtual screens.
    Santos-Filho OA; Hopfinger AJ
    J Pharm Sci; 2008 Jan; 97(1):566-83. PubMed ID: 17696143
    [TBL] [Abstract][Full Text] [Related]  

  • 13. ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties.
    Hou TJ; Zhang W; Xia K; Qiao XB; Xu XJ
    J Chem Inf Comput Sci; 2004; 44(5):1585-600. PubMed ID: 15446816
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A novel approach to the investigation of passive molecular permeation through lipid bilayers from atomistic simulations.
    Ghaemi Z; Minozzi M; Carloni P; Laio A
    J Phys Chem B; 2012 Jul; 116(29):8714-21. PubMed ID: 22540377
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Integration of in silico and in vitro tools for scaffold optimization during drug discovery: predicting P-glycoprotein efflux.
    Desai PV; Sawada GA; Watson IA; Raub TJ
    Mol Pharm; 2013 Apr; 10(4):1249-61. PubMed ID: 23363443
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories.
    Zhang S; Thompson JP; Xia J; Bogetti AT; York F; Skillman AG; Chong LT; LeBard DN
    J Chem Inf Model; 2022 Apr; 62(8):1891-1904. PubMed ID: 35421313
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Nanoparticle permeation induces water penetration, ion transport, and lipid flip-flop.
    Song B; Yuan H; Pham SV; Jameson CJ; Murad S
    Langmuir; 2012 Dec; 28(49):16989-7000. PubMed ID: 23171434
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?
    Swift RV; Amaro RE
    Chem Biol Drug Des; 2013 Jan; 81(1):61-71. PubMed ID: 23066853
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Novel serine-based gemini surfactants as chemical permeation enhancers of local anesthetics: A comprehensive study on structure-activity relationships, molecular dynamics and dermal delivery.
    Teixeira RS; Cova TF; Silva SM; Oliveira R; do Vale ML; Marques EF; Pais AA; Veiga FJ
    Eur J Pharm Biopharm; 2015 Jun; 93():205-13. PubMed ID: 25748796
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Free-Energy Profiles for Membrane Permeation of Compounds Calculated Using Rare-Event Sampling Methods.
    Harada R; Morita R; Shigeta Y
    J Chem Inf Model; 2023 Jan; 63(1):259-269. PubMed ID: 36574612
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.