Literature DB >> 15452353

Exercises in prognostication: crystal structures and protein folding.

Jack D Dunitz1, Harold A Scheraga.   

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Year:  2004        PMID： 15452353      PMCID： PMC521964          DOI： 10.1073/pnas.0405744101

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN： 0027-8424            Impact factor:   11.205


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  5 in total

1.  Analysis and assessment of ab initio three-dimensional prediction, secondary structure, and contacts prediction.

Authors:  C A Orengo; J E Bray; T Hubbard; L LoConte; I Sillitoe
Journal:  Proteins       Date:  1999

2.  A test of crystal structure prediction of small organic molecules.

Authors:  J P Lommerse; W D Motherwell; H L Ammon; J D Dunitz; A Gavezzotti; D W Hofmann; F J Leusen; W T Mooij; S L Price; B Schweizer; M U Schmidt; P Verwer; D E Williams
Journal:  Acta Crystallogr B       Date:  2000-08

3.  Are crystal structures predictable?

Authors:  Jack D Dunitz
Journal:  Chem Commun (Camb)       Date:  2003-03-07       Impact factor: 6.222

4.  Rosetta predictions in CASP5: successes, failures, and prospects for complete automation.

Authors:  Philip Bradley; Dylan Chivian; Jens Meiler; Kira M S Misura; Carol A Rohl; William R Schief; William J Wedemeyer; Ora Schueler-Furman; Paul Murphy; Jack Schonbrun; Charles E M Strauss; David Baker
Journal:  Proteins       Date:  2003

5.  Crystal structure prediction of small organic molecules: a second blind test.

Authors:  W D Sam Motherwell; Herman L Ammon; Jack D Dunitz; Alexander Dzyabchenko; Peter Erk; Angelo Gavezzotti; Detlef W M Hofmann; Frank J J Leusen; Jos P M Lommerse; Wijnand T M Mooij; Sarah L Price; Harold Scheraga; Bernd Schweizer; Martin U Schmidt; Bouke P van Eijck; Paul Verwer; Donald E Williams
Journal:  Acta Crystallogr B       Date:  2002-07-30
  5 in total
  3 in total

1.  Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions.

Authors:  Tang-Qing Yu; Pei-Yang Chen; Ming Chen; Amit Samanta; Eric Vanden-Eijnden; Mark Tuckerman
Journal:  J Chem Phys       Date:  2014-06-07       Impact factor: 3.488

2.  Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field.

Authors:  Seonah Kim; Anita M Orendt; Marta B Ferraro; Julio C Facelli
Journal:  J Comput Chem       Date:  2009-10       Impact factor: 3.376

3.  Nanocrystalline Iron Monosulfides Near Stoichiometry.

Authors:  Dennice M Roberts; Alyssa R Landin; Timothy G Ritter; Joel D Eaves; Conrad R Stoldt
Journal:  Sci Rep       Date:  2018-04-26       Impact factor: 4.379
  3 in total

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