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 *

191 related articles for article (PubMed ID: 26716361)

  • 1. Convergence Properties of Crystal Structure Prediction by Quasi-Random Sampling.
    Case DH; Campbell JE; Bygrave PJ; Day GM
    J Chem Theory Comput; 2016 Feb; 12(2):910-24. PubMed ID: 26716361
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Crystal structure prediction and isostructurality of three small organic halogen compounds.
    Asmadi A; Kendrick J; Leusen FJ
    Phys Chem Chem Phys; 2010 Aug; 12(30):8571-9. PubMed ID: 20532368
    [TBL] [Abstract][Full Text] [Related]  

  • 3. AB Initio Prediction of Stable Confomeric Polymorphs of Benzocaine Molecule- a Local Anaesthatic Molecule.
    Nidhin P; Stephen D; Paul SA
    Acta Chim Slov; 2017 Jun; 64(2):467-478. PubMed ID: 28621398
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Crystal structure prediction of flexible pharmaceutical-like molecules: density functional tight-binding as an intermediate optimisation method and for free energy estimation.
    Iuzzolino L; McCabe P; Price SL; Brandenburg JG
    Faraday Discuss; 2018 Oct; 211(0):275-296. PubMed ID: 30035288
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random Sampling.
    Yang S; Day GM
    J Chem Theory Comput; 2021 Mar; 17(3):1988-1999. PubMed ID: 33529526
    [TBL] [Abstract][Full Text] [Related]  

  • 6. How evolutionary crystal structure prediction works--and why.
    Oganov AR; Lyakhov AO; Valle M
    Acc Chem Res; 2011 Mar; 44(3):227-37. PubMed ID: 21361336
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Ab initio crystal structure prediction-I. Rigid molecules.
    Karamertzanis PG; Pantelides CC
    J Comput Chem; 2005 Feb; 26(3):304-24. PubMed ID: 15622548
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes.
    Butler PWV; Hafizi R; Day GM
    J Phys Chem A; 2024 Feb; 128(5):945-957. PubMed ID: 38277275
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical search of crystal polymorphs of temozolomide.
    Arputharaj DS; Rajasekaran M; Jelsch C; Kandasamy S; Al-Sehemi AG
    Heliyon; 2022 Jun; 8(6):e09608. PubMed ID: 35706947
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Crystal structure prediction of rigid molecules.
    Elking DM; Fusti-Molnar L; Nichols A
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2016 Aug; 72(Pt 4):488-501. PubMed ID: 27484371
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Planning Implications Related to Sterilization-Sensitive Science Investigations Associated with Mars Sample Return (MSR).
    Velbel MA; Cockell CS; Glavin DP; Marty B; Regberg AB; Smith AL; Tosca NJ; Wadhwa M; Kminek G; Meyer MA; Beaty DW; Carrier BL; Haltigin T; Hays LE; Agee CB; Busemann H; Cavalazzi B; Debaille V; Grady MM; Hauber E; Hutzler A; McCubbin FM; Pratt LM; Smith CL; Summons RE; Swindle TD; Tait KT; Udry A; Usui T; Westall F; Zorzano MP
    Astrobiology; 2022 Jun; 22(S1):S112-S164. PubMed ID: 34904892
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Evolutionary niching in the GAtor genetic algorithm for molecular crystal structure prediction.
    Curtis F; Rose T; Marom N
    Faraday Discuss; 2018 Oct; 211(0):61-77. PubMed ID: 30073236
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Distance Matrix-Based Crystal Structure Prediction Using Evolutionary Algorithms.
    Hu J; Yang W; Dilanga Siriwardane EM
    J Phys Chem A; 2020 Dec; 124(51):10909-10919. PubMed ID: 33300340
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The polymorphs of ROY: application of a systematic crystal structure prediction technique.
    Vasileiadis M; Kazantsev AV; Karamertzanis PG; Adjiman CS; Pantelides CC
    Acta Crystallogr B; 2012 Dec; 68(Pt 6):677-85. PubMed ID: 23165604
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam.
    Nowell H; Price SL
    Acta Crystallogr B; 2005 Oct; 61(Pt 5):558-68. PubMed ID: 16186656
    [TBL] [Abstract][Full Text] [Related]  

  • 16. How Accurate Can Crystal Structure Predictions Be for High-Energy Molecular Crystals?
    Bidault X; Chaudhuri S
    Molecules; 2023 May; 28(11):. PubMed ID: 37298947
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Crystal Polymorph Search in the
    Nessler AJ; Okada O; Kinoshita Y; Nishimura K; Nagata H; Fukuzawa K; Yonemochi E; Schnieders MJ
    Cryst Growth Des; 2024 Apr; 24(8):3205-3217. PubMed ID: 38659664
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Determination of structure and properties of molecular crystals from first principles.
    Szalewicz K
    Acc Chem Res; 2014 Nov; 47(11):3266-74. PubMed ID: 25354310
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A third blind test of crystal structure prediction.
    Day GM; Motherwell WD; Ammon HL; Boerrigter SX; Della Valle RG; Venuti E; Dzyabchenko A; Dunitz JD; Schweizer B; van Eijck BP; Erk P; Facelli JC; Bazterra VE; Ferraro MB; Hofmann DW; Leusen FJ; Liang C; Pantelides CC; Karamertzanis PG; Price SL; Lewis TC; Nowell H; Torrisi A; Scheraga HA; Arnautova YA; Schmidt MU; Verwer P
    Acta Crystallogr B; 2005 Oct; 61(Pt 5):511-27. PubMed ID: 16186652
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Reliable crystal structure predictions from first principles.
    Nikhar R; Szalewicz K
    Nat Commun; 2022 Jun; 13(1):3095. PubMed ID: 35654882
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.