Jed W Pitera

Jed W Pitera

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Jed W Pitera

Jed W Pitera

Publications by authors named "Jed W Pitera"

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20Publications

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Orientation Control of Block Copolymers Using Surface Active, Phase-Preferential Additives.

ACS Appl Mater Interfaces 2016 Nov 18;8(43):29808-29817. Epub 2016 Oct 18.

IBM Research-Almaden, 650 Harry Rd., San Jose, California 95120, United States.

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http://dx.doi.org/10.1021/acsami.6b11293DOI Listing
November 2016

Enabling complex nanoscale pattern customization using directed self-assembly.

Nat Commun 2014 Dec 16;5:5805. Epub 2014 Dec 16.

IBM Research-Almaden, 650 Harry Road, San Jose, California 95120, USA.

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http://dx.doi.org/10.1038/ncomms6805DOI Listing
December 2014

Determination of the internal morphology of nanostructures patterned by directed self assembly.

ACS Nano 2014 Aug 6;8(8):8426-37. Epub 2014 Aug 6.

Materials Science and Engineering Division, National Institute of Standards and Technology , Gaithersburg, Maryland 20899, United States.

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http://pubs.acs.org/doi/10.1021/nn5029289
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http://dx.doi.org/10.1021/nn5029289DOI Listing
August 2014

Expected distributions of root-mean-square positional deviations in proteins.

Authors:
Jed W Pitera

J Phys Chem B 2014 Jun 21;118(24):6526-30. Epub 2014 Mar 21.

IBM Research - Almaden, 650 Harry Road, San Jose, California 95120, United States.

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http://dx.doi.org/10.1021/jp412776dDOI Listing
June 2014

Programmable nanoparticle ensembles via high-throughput directed self-assembly.

Langmuir 2013 Mar 4;29(11):3567-74. Epub 2013 Mar 4.

IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120, USA.

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http://dx.doi.org/10.1021/la4000457DOI Listing
March 2013

Pattern placement accuracy in block copolymer directed self-assembly based on chemical epitaxy.

ACS Nano 2013 Jan 7;7(1):276-85. Epub 2012 Dec 7.

IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120, USA.

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http://dx.doi.org/10.1021/nn303974jDOI Listing
January 2013

On the Use of Experimental Observations to Bias Simulated Ensembles.

J Chem Theory Comput 2012 Oct 27;8(10):3445-51. Epub 2012 Aug 27.

California Institute for Quantitative Biosciences (QB3), University of California, Berkeley, California.

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http://dx.doi.org/10.1021/ct300112vDOI Listing
October 2012

Comparison of computational approaches for predicting the effects of missense mutations on p53 function.

J Mol Graph Model 2009 Jun-Jul;27(8):978-82. Epub 2008 Dec 27.

Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA.

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http://dx.doi.org/10.1016/j.jmgm.2008.12.006DOI Listing
August 2009

Current developments in and importance of high-performance computing in drug discovery.

Authors:
Jed W Pitera

Curr Opin Drug Discov Devel 2009 May;12(3):388-96

IBM Almaden Research Center, San Jose, CA 95120, USA.

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May 2009

Observation of noncooperative folding thermodynamics in simulations of 1BBL.

Biophys J 2008 Jun 7;94(12):4837-46. Epub 2008 Mar 7.

IBM Almaden Research Center, San Jose, California 95120, USA.

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http://dx.doi.org/10.1529/biophysj.107.123265DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2397362PMC
June 2008

Soft patchy nanoparticles from solution-phase self-assembly of binary diblock copolymers.

Nano Lett 2008 Feb 12;8(2):611-8. Epub 2008 Jan 12.

IBM Almaden Research Center, 650 Harry Road, San Jose, California 94086, USA.

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http://dx.doi.org/10.1021/nl073027qDOI Listing
February 2008

Interfacial fluctuations of block copolymers: a coarse-grain molecular dynamics simulation study.

J Phys Chem B 2007 Dec 20;111(49):13734-42. Epub 2007 Nov 20.

IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120, USA.

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http://dx.doi.org/10.1021/jp073347yDOI Listing
December 2007

Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations.

J Chem Theory Comput 2007 Jan;3(1):26-41

Graduate Group in Biophysics and Department of Pharmaceutical Chemistry, University of California at San Francisco, San Francisco, California 94143, IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120, and Department of Chemistry, College of Natural Sciences, Seoul National University, Gwanak-gu, Shillim-dong, san 56-1 Seoul 151-747, Republic of Korea.

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http://dx.doi.org/10.1021/ct0502864DOI Listing
January 2007

Absence of reptation in the high-temperature folding of the trpzip2 beta-hairpin peptide.

J Chem Phys 2006 Apr;124(14):141102

IBM Almaden Research Center, San Jose, California 95120, USA.

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http://dx.doi.org/10.1063/1.2190226DOI Listing
April 2006

Kinetic computational alanine scanning: application to p53 oligomerization.

J Mol Biol 2006 Mar 17;357(3):1039-49. Epub 2006 Jan 17.

Department of Chemistry, Stanford University, Stanford, CA 94305-5447, USA.

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http://linkinghub.elsevier.com/retrieve/pii/S002228360501673
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http://dx.doi.org/10.1016/j.jmb.2005.12.083DOI Listing
March 2006

Characterization of the TIP4P-Ew water model: vapor pressure and boiling point.

J Chem Phys 2005 Nov;123(19):194504

International Business Machines Corporation (IBM) Almaden Research Center, 650 Harry Road, San Jose, CA 95120, USA.

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http://dx.doi.org/10.1063/1.2085031DOI Listing
November 2005

Heterogeneous folding of the trpzip hairpin: full atom simulation and experiment.

J Mol Biol 2004 Feb;336(1):241-51

Center for Biophysics and Computational Biology, University of Illinois, Urbana, IL 61801, USA.

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http://dx.doi.org/10.1016/j.jmb.2003.11.033DOI Listing
February 2004

Understanding folding and design: replica-exchange simulations of "Trp-cage" miniproteins.

Proc Natl Acad Sci U S A 2003 Jun 13;100(13):7587-92. Epub 2003 Jun 13.

IBM Research, Almaden Research Center, 650 Harry Road, San Jose, CA 95120, USA.

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http://dx.doi.org/10.1073/pnas.1330954100DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC164630PMC
June 2003