PubMed

The Nature of DNA-Base-Carbon-Nanotube Interactions.

Johnson RR, Johnson AT, Klein ML.

Small. 2009 Nov 26. [Epub ahead of print] No abstract available. PMID: 19943252 [PubMed - as supplied by publisher]

An Atomistic Model for Simulations of the General Anesthetic Isoflurane.

Hénin J, Brannigan G, Dailey WP, Eckenhoff R, Klein ML.

J Phys Chem B. 2009 Nov 19. [Epub ahead of print]PMID: 19924847 [PubMed - as supplied by publisher]Related articles

Ab initio molecular dynamics study of supercritical carbon dioxide including dispersion corrections.

Balasubramanian S, Kohlmeyer A, Klein ML.

J Chem Phys. 2009 Oct 14;131(14):144506.PMID: 19831451 [PubMed - in process]Related articles

De Novo Design of Antimicrobial Polymers, Foldamers, and Small Molecules: From Discovery to Practical Applications.

Tew GN, Scott RW, Klein ML, Degrado WF.

Acc Chem Res. 2009 Oct 8. [Epub ahead of print]PMID: 19813703 [PubMed - as supplied by publisher]Related articles

Computational Studies on the Interactions of Inhalational Anesthetics with Proteins.

Vemparala S, Domene C, Klein ML.

Acc Chem Res. 2009 Sep 30. [Epub ahead of print]PMID: 19788306 [PubMed - as supplied by publisher]Related articles

Change in area of geographic atrophy in the Age-Related Eye Disease Study: AREDS report number 26.

Lindblad AS, Lloyd PC, Clemons TE, Gensler GR, Ferris FL 3rd, Klein ML, Armstrong JR; Age-Related Eye Disease Study Research Group.

Arch Ophthalmol. 2009 Sep;127(9):1168-74.PMID: 19752426 [PubMed - indexed for MEDLINE]Related articles

A unitary anesthetic binding site at high resolution.

Vedula LS, Brannigan G, Economou NJ, Xi J, Hall MA, Liu R, Rossi MJ, Dailey WP, Grasty KC, Klein ML, Eckenhoff RG, Loll PJ.

J Biol Chem. 2009 Sep 4;284(36):24176-84. Epub 2009 Jul 15.PMID: 19605349 [PubMed - indexed for MEDLINE]Related articles

First principles effective electronic couplings for hole transfer in natural and size-expanded DNA.

Migliore A, Corni S, Varsano D, Klein ML, Di Felice R.

J Phys Chem B. 2009 Jul 16;113(28):9402-15.PMID: 19537767 [PubMed - indexed for MEDLINE]Related articles

Initial stages of aggregation in aqueous solutions of ionic liquids: molecular dynamics studies.

Bhargava BL, Klein ML.

J Phys Chem B. 2009 Jul 16;113(28):9499-505.PMID: 19537746 [PubMed - indexed for MEDLINE]Related articles

Characterization of membrane-protein interactions for the leucine transporter from Aquifex aeolicus by molecular dynamics calculations.

Pantano DA, Klein ML.

J Phys Chem B. 2009 Oct 22;113(42):13715-22.PMID: 19445452 [PubMed - in process]Related articles

Computational study of a nanobiosensor: a single-walled carbon nanotube functionalized with the coxsackie-adenovirus receptor.

Johnson RR, Rego BJ, Johnson AT, Klein ML.

J Phys Chem B. 2009 Aug 27;113(34):11589-93.PMID: 19435308 [PubMed - in process]Related articles

Mitochondrial DNA variants of respiratory complex I that uniquely characterize haplogroup T2 are associated with increased risk of age-related macular degeneration.

SanGiovanni JP, Arking DE, Iyengar SK, Elashoff M, Clemons TE, Reed GF, Henning AK, Sivakumaran TA, Xu X, DeWan A, Agrón E, Rochtchina E, Sue CM, Wang JJ, Mitchell P, Hoh J, Francis PJ, Klein ML, Chew EY, Chakravarti A.

PLoS One. 2009;4(5):e5508. Epub 2009 May 12.PMID: 19434233 [PubMed - indexed for MEDLINE]Related articlesFree article

Models for phosphatidylglycerol lipids put to a structural test.

Hénin J, Shinoda W, Klein ML.

J Phys Chem B. 2009 May 14;113(19):6958-63.PMID: 19371035 [PubMed - indexed for MEDLINE]Related articles

Identification of a fluorescent general anesthetic, 1-aminoanthracene.

Butts CA, Xi J, Brannigan G, Saad AA, Venkatachalan SP, Pearce RA, Klein ML, Eckenhoff RG, Dmochowski IJ.

Proc Natl Acad Sci U S A. 2009 Apr 21;106(16):6501-6. Epub 2009 Apr 3.PMID: 19346473 [PubMed - indexed for MEDLINE]Related articlesFree article

Initial response of the potassium channel voltage sensor to a transmembrane potential.

Treptow W, Tarek M, Klein ML.

J Am Chem Soc. 2009 Feb 18;131(6):2107-9.PMID: 19175309 [PubMed - indexed for MEDLINE]Related articles

Bulk and Interfacial Aqueous Fluoride: An Investigation via First Principles Molecular Dynamics (dagger).

Ho MH, Klein ML, Kuo IF.

J Phys Chem A. 2009 Mar 12;113(10):2070-4.PMID: 19173578 [PubMed - in process]Related articles

Free energy landscape of a DNA-carbon nanotube hybrid using replica exchange molecular dynamics.

Johnson RR, Kohlmeyer A, Johnson AT, Klein ML.

Nano Lett. 2009 Feb;9(2):537-41.PMID: 19161335 [PubMed - indexed for MEDLINE]Related articles

Molecular dynamics calculations suggest a conduction mechanism for the M2 proton channel from influenza A virus.

Khurana E, Dal Peraro M, DeVane R, Vemparala S, DeGrado WF, Klein ML.

Proc Natl Acad Sci U S A. 2009 Jan 27;106(4):1069-74. Epub 2009 Jan 14.PMID: 19144924 [PubMed - indexed for MEDLINE]Related articlesFree article

Clinicopathologic correlation of retinal angiomatous proliferation.

Monson DM, Smith JR, Klein ML, Wilson DJ.

Arch Ophthalmol. 2008 Dec;126(12):1664-8.PMID: 19064845 [PubMed - indexed for MEDLINE]Related articles

Polymorphisms in C2, CFB and C3 are associated with progression to advanced age related macular degeneration associated with visual loss.

Francis PJ, Hamon SC, Ott J, Weleber RG, Klein ML.

J Med Genet. 2009 May;46(5):300-7. Epub 2008 Nov 17.PMID: 19015224 [PubMed - indexed for MEDLINE]Related articles

Probing Membrane Insertion Activity of Antimicrobial Polymers via Coarse-grain Molecular Dynamics.

Lopez CF, Nielsen SO, Srinivas G, Degrado WF, Klein ML.

J Chem Theory Comput. 2006 May;2(3):649-655.PMID: 18985168 [PubMed]Related articlesFree article

Probing peptide nanotube self-assembly at a liquid-liquid interface with coarse-grained molecular dynamics.

Khurana E, DeVane RH, Kohlmeyer A, Klein ML.

Nano Lett. 2008 Nov;8(11):3626-30. Epub 2008 Oct 15.PMID: 18855461 [PubMed - indexed for MEDLINE]Related articlesFree article

Molecular Dynamics Studies of Cation Aggregation in the Room Temperature Ionic Liquid [C(10)mim][Br] in Aqueous Solution (dagger).

Bhargava BL, Klein ML.

J Phys Chem A. 2009 Mar 12;113(10):1898-904.PMID: 18855371 [PubMed - in process]Related articles

Embedded cholesterol in the nicotinic acetylcholine receptor.

Brannigan G, Hénin J, Law R, Eckenhoff R, Klein ML.

Proc Natl Acad Sci U S A. 2008 Sep 23;105(38):14418-23. Epub 2008 Sep 3.PMID: 18768796 [PubMed - indexed for MEDLINE]Related articlesFree article

Toll-like receptor 3 and geographic atrophy in age-related macular degeneration.

Yang Z, Stratton C, Francis PJ, Kleinman ME, Tan PL, Gibbs D, Tong Z, Chen H, Constantine R, Yang X, Chen Y, Zeng J, Davey L, Ma X, Hau VS, Wang C, Harmon J, Buehler J, Pearson E, Patel S, Kaminoh Y, Watkins S, Luo L, Zabriskie NA, Bernstein PS, Cho W, Schwager A, Hinton DR, Klein ML, Hamon SC, Simmons E, Yu B, Campochiaro B, Sunness JS, Campochiaro P, Jorde L, Parmigiani G, Zack DJ, Katsanis N, Ambati J, Zhang K.

N Engl J Med. 2008 Oct 2;359(14):1456-63. Epub 2008 Aug 27. Erratum in: N Engl J Med. 2008 Oct 23;359(17):1859. N Engl J Med. 2009 Jul 23;361(4):431. PMID: 18753640 [PubMed - indexed for MEDLINE]Related articlesFree article

X-ray diffraction and computation yield the structure of alkanethiols on gold(111).

Cossaro A, Mazzarello R, Rousseau R, Casalis L, Verdini A, Kohlmeyer A, Floreano L, Scandolo S, Morgante A, Klein ML, Scoles G.

Science. 2008 Aug 15;321(5891):943-6.PMID: 18703737 [PubMed]Related articlesFree article

Large-scale molecular dynamics simulations of self-assembling systems.

Klein ML, Shinoda W.

Science. 2008 Aug 8;321(5890):798-800.PMID: 18687954 [PubMed - indexed for MEDLINE]Related articlesFree article

Joint effects of polymorphisms in the HTRA1, LOC387715/ARMS2, and CFH genes on AMD in a Caucasian population.

Francis PJ, Zhang H, Dewan A, Hoh J, Klein ML.

Mol Vis. 2008 Aug 4;14:1395-400.PMID: 18682806 [PubMed - indexed for MEDLINE]Related articlesFree article

Phosphodiester cleavage in ribonuclease H occurs via an associative two-metal-aided catalytic mechanism.

De Vivo M, Dal Peraro M, Klein ML.

J Am Chem Soc. 2008 Aug 20;130(33):10955-62. Epub 2008 Jul 29.PMID: 18662000 [PubMed - indexed for MEDLINE]Related articlesFree article

Modelling room temperature ionic liquids.

Bhargava BL, Balasubramanian S, Klein ML.

Chem Commun (Camb). 2008 Aug 7;(29):3339-51. Epub 2008 Jun 11.PMID: 18633489 [PubMed]Related articles

Conformational changes and gating at the selectivity filter of potassium channels.

Domene C, Klein ML, Branduardi D, Gervasio FL, Parrinello M.

J Am Chem Soc. 2008 Jul 23;130(29):9474-80. Epub 2008 Jun 28.PMID: 18588293 [PubMed - indexed for MEDLINE]Related articles

United-atom acyl chains for CHARMM phospholipids.

Hénin J, Shinoda W, Klein ML.

J Phys Chem B. 2008 Jun 12;112(23):7008-15. Epub 2008 May 16.PMID: 18481889 [PubMed - indexed for MEDLINE]Related articles

CFH and LOC387715/ARMS2 genotypes and treatment with antioxidants and zinc for age-related macular degeneration.

Klein ML, Francis PJ, Rosner B, Reynolds R, Hamon SC, Schultz DW, Ott J, Seddon JM.

Ophthalmology. 2008 Jun;115(6):1019-25.PMID: 18423869 [PubMed - indexed for MEDLINE]Related articles

Associations between age-related nuclear cataract and lutein and zeaxanthin in the diet and serum in the Carotenoids in the Age-Related Eye Disease Study, an Ancillary Study of the Women's Health Initiative.

Moeller SM, Voland R, Tinker L, Blodi BA, Klein ML, Gehrs KM, Johnson EJ, Snodderly DM, Wallace RB, Chappell RJ, Parekh N, Ritenbaugh C, Mares JA; CAREDS Study Group; Women's Helath Initiative.

Arch Ophthalmol. 2008 Mar;126(3):354-64.PMID: 18332316 [PubMed - indexed for MEDLINE]Related articlesFree article

Interaction of anesthetics with open and closed conformations of a potassium channel studied via molecular dynamics and normal mode analysis.

Vemparala S, Domene C, Klein ML.

Biophys J. 2008 Jun;94(11):4260-9. Epub 2008 Feb 29.PMID: 18310250 [PubMed - indexed for MEDLINE]Related articlesFree article

The role of conformation in ion permeation in a K+ channel.

Domene C, Vemparala S, Furini S, Sharp K, Klein ML.

J Am Chem Soc. 2008 Mar 19;130(11):3389-98. Epub 2008 Feb 23.PMID: 18293969 [PubMed - indexed for MEDLINE]Related articles

Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.

Calhoun JR, Liu W, Spiegel K, Dal Peraro M, Klein ML, Valentine KG, Wand AJ, DeGrado WF.

Structure. 2008 Feb;16(2):210-5.PMID: 18275812 [PubMed - indexed for MEDLINE]Related articles

Structural correlations and charge ordering in a room-temperature ionic liquid.

Bhargava BL, Klein ML, Balasubramanian S.

Chemphyschem. 2008 Jan 11;9(1):67-70. No abstract available. PMID: 18098251 [PubMed - indexed for MEDLINE]Related articles

Probing the structure of DNA-carbon nanotube hybrids with molecular dynamics.

Johnson RR, Johnson AT, Klein ML.

Nano Lett. 2008 Jan;8(1):69-75. Epub 2007 Dec 11.PMID: 18069867 [PubMed - indexed for MEDLINE]Related articles

Haplotypes in the complement factor H (CFH) gene: associations with drusen and advanced age-related macular degeneration.

Francis PJ, Schultz DW, Hamon S, Ott J, Weleber RG, Klein ML.

PLoS One. 2007 Nov 28;2(11):e1197.PMID: 18043728 [PubMed - indexed for MEDLINE]Related articlesFree article

Retinal precursors and the development of geographic atrophy in age-related macular degeneration.

Klein ML, Ferris FL 3rd, Armstrong J, Hwang TS, Chew EY, Bressler SB, Chandra SR; AREDS Research Group.

Ophthalmology. 2008 Jun;115(6):1026-31. Epub 2007 Nov 5.PMID: 17981333 [PubMed - indexed for MEDLINE]Related articles

Computational study of the Zr4+ tetranuclear polymer, [Zr4(OH)8(H2O)16]8+.

Rao N, Holerca MN, Klein ML, Pophristic V.

J Phys Chem A. 2007 Nov 15;111(45):11395-9. Epub 2007 Oct 18.PMID: 17944442 [PubMed - indexed for MEDLINE]Related articles

Azole-bridged diplatinum anticancer compounds. Modulating DNA flexibility to escape repair mechanism and avoid cross resistance.

Spiegel K, Magistrato A, Carloni P, Reedijk J, Klein ML.

J Phys Chem B. 2007 Oct 18;111(41):11873-6.PMID: 17927270 [PubMed - indexed for MEDLINE]Related articles

Macular pigment density and age-related maculopathy in the Carotenoids in Age-Related Eye Disease Study. An ancillary study of the women's health initiative.

LaRowe TL, Mares JA, Snodderly DM, Klein ML, Wooten BR, Chappell R; CAREDS Macular Pigment Study Group.

Ophthalmology. 2008 May;115(5):876-883.e1. Epub 2007 Sep 14.PMID: 17868874 [PubMed - indexed for MEDLINE]Related articles

Computing the acidity of liquids via ab initio molecular dynamics.

Simon C, Ciccotti G, Klein ML.

Chemphyschem. 2007 Oct 8;8(14):2072-6. No abstract available. PMID: 17722221 [PubMed]Related articles

Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.

Spiegel K, Magistrato A, Maurer P, Ruggerone P, Rothlisberger U, Carloni P, Reedijk J, Klein ML.

J Comput Chem. 2008 Jan 15;29(1):38-49.PMID: 17705162 [PubMed - indexed for MEDLINE]Related articles

Optical coherence tomography findings during pegaptanib therapy for neovascular age-related macular degeneration.

Emerson GG, Flaxel CJ, Lauer AK, Stout JT, Emerson MV, Nolte S, Wilson DJ, Klein ML.

Retina. 2007 Jul-Aug;27(6):724-9.PMID: 17621181 [PubMed - indexed for MEDLINE]Related articles

Macular microholes.

Emerson GG, Spencer GR, Klein ML.

Retina. 2007 Jun;27(5):595-600.PMID: 17558322 [PubMed - indexed for MEDLINE]Related articles

Association of CFH Y402H and LOC387715 A69S with progression of age-related macular degeneration.

Seddon JM, Francis PJ, George S, Schultz DW, Rosner B, Klein ML.

JAMA. 2007 Apr 25;297(16):1793-800. Erratum in: JAMA. 2007 Jun 20;297(23):2585. PMID: 17456821 [PubMed - indexed for MEDLINE]Related articlesFree article

Intravitreal bevacizumab (Avastin) treatment of neovascular age-related macular degeneration.

Emerson MV, Lauer AK, Flaxel CJ, Wilson DJ, Francis PJ, Stout JT, Emerson GG, Schlesinger TK, Nolte SK, Klein ML.

Retina. 2007 Apr-May;27(4):439-44.PMID: 17420695 [PubMed - indexed for MEDLINE]Related articles