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 *

144 related articles for article (PubMed ID: 22057834)

  • 21. Geometry, energetics, and dynamics of hydrogen bonds in proteins: structural information derived from NMR scalar couplings.
    Gsponer J; Hopearuoho H; Cavalli A; Dobson CM; Vendruscolo M
    J Am Chem Soc; 2006 Nov; 128(47):15127-35. PubMed ID: 17117864
    [TBL] [Abstract][Full Text] [Related]  

  • 22. A force field for virtual atom molecular mechanics of proteins.
    Korkut A; Hendrickson WA
    Proc Natl Acad Sci U S A; 2009 Sep; 106(37):15667-72. PubMed ID: 19717427
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Molecular dynamics simulations of ligand-induced flap closing in HIV-1 protease approach X-ray resolution: establishing the role of bound water in the flap closing mechanism.
    Singh G; Senapati S
    Biochemistry; 2008 Oct; 47(40):10657-64. PubMed ID: 18785756
    [TBL] [Abstract][Full Text] [Related]  

  • 24. A semiempirical free energy force field with charge-based desolvation.
    Huey R; Morris GM; Olson AJ; Goodsell DS
    J Comput Chem; 2007 Apr; 28(6):1145-52. PubMed ID: 17274016
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Accuracy issues involved in modeling in vivo protein structures using PM7.
    Martin BP; Brandon CJ; Stewart JJ; Braun-Sand SB
    Proteins; 2015 Aug; 83(8):1427-35. PubMed ID: 25973843
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Assessing protein structures with a non-local atomic interaction energy.
    Melo F; Feytmans E
    J Mol Biol; 1998 Apr; 277(5):1141-52. PubMed ID: 9571028
    [TBL] [Abstract][Full Text] [Related]  

  • 27. A multicore QM/MM approach for the geometry optimization of chromophore aggregate in protein.
    Kiyota Y; Hasegawa JY; Fujimoto K; Swerts B; Nakatsuji H
    J Comput Chem; 2009 Jun; 30(8):1351-9. PubMed ID: 19009605
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Exploring structural variability in X-ray crystallographic models using protein local optimization by torsion-angle sampling.
    Knight JL; Zhou Z; Gallicchio E; Himmel DM; Friesner RA; Arnold E; Levy RM
    Acta Crystallogr D Biol Crystallogr; 2008 Apr; 64(Pt 4):383-96. PubMed ID: 18391405
    [TBL] [Abstract][Full Text] [Related]  

  • 29. An assessment of the accuracy of methods for predicting hydrogen positions in protein structures.
    Forrest LR; Honig B
    Proteins; 2005 Nov; 61(2):296-309. PubMed ID: 16114036
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Crystal structures of the recombinant kringle 1 domain of human plasminogen in complexes with the ligands epsilon-aminocaproic acid and trans-4-(aminomethyl)cyclohexane-1-carboxylic Acid.
    Mathews II; Vanderhoff-Hanaver P; Castellino FJ; Tulinsky A
    Biochemistry; 1996 Feb; 35(8):2567-76. PubMed ID: 8611560
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K.
    Gerlits O; Keen DA; Blakeley MP; Louis JM; Weber IT; Kovalevsky A
    J Med Chem; 2017 Mar; 60(5):2018-2025. PubMed ID: 28195728
    [TBL] [Abstract][Full Text] [Related]  

  • 32. On the evaluation and optimization of protein X-ray structures for pKa calculations.
    Nielsen JE; McCammon JA
    Protein Sci; 2003 Feb; 12(2):313-26. PubMed ID: 12538895
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Quantum chemistry can locally improve protein crystal structures.
    Ryde U; Nilsson K
    J Am Chem Soc; 2003 Nov; 125(47):14232-3. PubMed ID: 14624544
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Hydrogen bonding interactions of covalently bonded fluorine atoms: from crystallographic data to a new angular function in the GRID force field.
    Carosati E; Sciabola S; Cruciani G
    J Med Chem; 2004 Oct; 47(21):5114-25. PubMed ID: 15456255
    [TBL] [Abstract][Full Text] [Related]  

  • 35. SuperStar: improved knowledge-based interaction fields for protein binding sites.
    Verdonk ML; Cole JC; Watson P; Gillet V; Willett P
    J Mol Biol; 2001 Mar; 307(3):841-59. PubMed ID: 11273705
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming.
    Gehlhaar DK; Verkhivker GM; Rejto PA; Sherman CJ; Fogel DB; Fogel LJ; Freer ST
    Chem Biol; 1995 May; 2(5):317-24. PubMed ID: 9383433
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Dynamics may significantly influence the estimation of interatomic distances in biomolecular X-ray structures.
    Kuzmanic A; Kruschel D; van Gunsteren WF; Pannu NS; Zagrovic B
    J Mol Biol; 2011 Aug; 411(1):286-97. PubMed ID: 21645520
    [TBL] [Abstract][Full Text] [Related]  

  • 38. A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
    Katz BA; Elrod K; Luong C; Rice MJ; Mackman RL; Sprengeler PA; Spencer J; Hataye J; Janc J; Link J; Litvak J; Rai R; Rice K; Sideris S; Verner E; Young W
    J Mol Biol; 2001 Apr; 307(5):1451-86. PubMed ID: 11292354
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Exploratory studies of ab initio protein structure prediction: multiple copy simulated annealing, AMBER energy functions, and a generalized born/solvent accessibility solvation model.
    Liu Y; Beveridge DL
    Proteins; 2002 Jan; 46(1):128-46. PubMed ID: 11746709
    [TBL] [Abstract][Full Text] [Related]  

  • 40. X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies.
    Burkhard P; Taylor P; Walkinshaw MD
    J Mol Biol; 2000 Jan; 295(4):953-62. PubMed ID: 10656803
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.