Format
Items per page
Sort by

Send to:

Choose Destination

Links from

Items: 1 to 20 of 157

1.

Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.

Fenn TD, Schnieders MJ, Mustyakimov M, Wu C, Langan P, Pande VS, Brunger AT.

Structure. 2011 Apr 13;19(4):523-33. doi: 10.1016/j.str.2011.01.015.

2.

The hydration structure of a Z-DNA hexameric duplex determined by a neutron diffraction technique.

Chatake T, Tanaka I, Umino H, Arai S, Niimura N.

Acta Crystallogr D Biol Crystallogr. 2005 Aug;61(Pt 8):1088-98. Epub 2005 Jul 20.

PMID:
16041074
3.

Polarizable atomic multipole x-ray refinement: hydration geometry and application to macromolecules.

Fenn TD, Schnieders MJ, Brunger AT, Pande VS.

Biophys J. 2010 Jun 16;98(12):2984-92. doi: 10.1016/j.bpj.2010.02.057.

4.

Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement.

Blum MM, Mustyakimov M, Rüterjans H, Kehe K, Schoenborn BP, Langan P, Chen JC.

Proc Natl Acad Sci U S A. 2009 Jan 20;106(3):713-8. doi: 10.1073/pnas.0807842106. Epub 2009 Jan 9.

5.

Neutron Nucleic Acid Crystallography.

Chatake T.

Methods Mol Biol. 2016;1320:283-300. doi: 10.1007/978-1-4939-2763-0_18.

PMID:
26227050
6.

High-resolution crystal structures of protein helices reconciled with three-centered hydrogen bonds and multipole electrostatics.

Kuster DJ, Liu C, Fang Z, Ponder JW, Marshall GR.

PLoS One. 2015 Apr 20;10(4):e0123146. doi: 10.1371/journal.pone.0123146. eCollection 2015.

7.

Reintroducing electrostatics into protein X-ray structure refinement: bulk solvent treated as a dielectric continuum.

Moulinier L, Case DA, Simonson T.

Acta Crystallogr D Biol Crystallogr. 2003 Dec;59(Pt 12):2094-103. Epub 2003 Nov 27.

PMID:
14646067
8.

Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II.

Wlodawer A, Walter J, Huber R, Sjölin L.

J Mol Biol. 1984 Dec 5;180(2):301-29.

PMID:
6210373
9.

Synthesis, capillary crystallization and preliminary joint X-ray and neutron crystallographic study of Z-DNA without polyamine at low pH.

Langan P, Li X, Hanson BL, Coates L, Mustyakimov M.

Acta Crystallogr Sect F Struct Biol Cryst Commun. 2006 May 1;62(Pt 5):453-6. Epub 2006 Apr 12.

10.

Do water molecules mediate protein-DNA recognition?

Reddy CK, Das A, Jayaram B.

J Mol Biol. 2001 Nov 30;314(3):619-32.

PMID:
11846571
11.

Temperature-dependent molecular dynamics and restrained X-ray refinement simulations of a Z-DNA hexamer.

Westhof E, Chevrier B, Gallion SL, Weiner PK, Levy RM.

J Mol Biol. 1986 Oct 20;191(4):699-712.

PMID:
3806679
12.

Polarizable Atomic Multipole X-Ray Refinement: Particle Mesh Ewald Electrostatics for Macromolecular Crystals.

Schnieders MJ, Fenn TD, Pande VS.

J Chem Theory Comput. 2011 Apr 12;7(4):1141-56. doi: 10.1021/ct100506d. Epub 2011 Mar 9.

PMID:
26606362
13.

Neutron and X-ray crystallographic analysis of the human α-thrombin-bivalirudin complex at pD 5.0: protonation states and hydration structure of the enzyme-product complex.

Yamada T, Kurihara K, Ohnishi Y, Tamada T, Tomoyori K, Masumi K, Tanaka I, Kuroki R, Niimura N.

Biochim Biophys Acta. 2013 Aug;1834(8):1532-8. doi: 10.1016/j.bbapap.2013.05.014. Epub 2013 May 25.

PMID:
23712263
14.

Free-energy component analysis of 40 protein-DNA complexes: a consensus view on the thermodynamics of binding at the molecular level.

Jayaram B, McConnell K, Dixit SB, Das A, Beveridge DL.

J Comput Chem. 2002 Jan 15;23(1):1-14.

PMID:
11913374
15.

Solvent structure in crystals of trypsin determined by X-ray and neutron diffraction.

Finer-Moore JS, Kossiakoff AA, Hurley JH, Earnest T, Stroud RM.

Proteins. 1992 Mar;12(3):203-22.

PMID:
1557349
16.

Structural effects of the C2-methylhypoxanthine:cytosine base pair in B-DNA: A combined NMR and X-ray diffraction study of d(CGC[m2I]AATTCGCG).

Yang D, Gao Y, Robinson H, van der Marel GA, van Boom JH, Wang AH.

Biochemistry. 1993 Aug 24;32(33):8672-81.

PMID:
8357809
17.

DNA hydration studied by neutron fiber diffraction.

Fuller W, Forsyth VT, Mahendrasingam A, Langan P, Pigram WJ, Mason SA, Wilson CC.

Basic Life Sci. 1996;64:345-58.

PMID:
9031519
18.

Neutron and X-ray crystallographic analysis of Achromobacter protease I at pD 8.0: protonation states and hydration structure in the free-form.

Ohnishi Y, Yamada T, Kurihara K, Tanaka I, Sakiyama F, Masaki T, Niimura N.

Biochim Biophys Acta. 2013 Aug;1834(8):1642-7. doi: 10.1016/j.bbapap.2013.05.012. Epub 2013 May 25.

PMID:
23714114
19.

Neutron structure of the cyclic glucose-bound xylose isomerase E186Q mutant.

Munshi P, Snell EH, van der Woerd MJ, Judge RA, Myles DA, Ren Z, Meilleur F.

Acta Crystallogr D Biol Crystallogr. 2014 Feb;70(Pt 2):414-20. doi: 10.1107/S1399004713029684. Epub 2014 Jan 29.

PMID:
24531475
20.

A preliminary time-of-flight neutron diffraction study of Streptomyces rubiginosus D-xylose isomerase.

Hanson BL, Langan P, Katz AK, Li X, Harp JM, Glusker JP, Schoenborn BP, Bunick GJ.

Acta Crystallogr D Biol Crystallogr. 2004 Feb;60(Pt 2):241-9. Epub 2004 Jan 23.

PMID:
14747699
Format
Items per page
Sort by

Send to:

Choose Destination

Supplemental Content

Write to the Help Desk