Literature DB >> 4851860

Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystals.

A T Hagler, E Huler, S Lifson.   

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Year:  1974        PMID： 4851860     DOI： 10.1021/ja00824a004

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


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  60 in total

1.  An improved hydrogen bond potential: impact on medium resolution protein structures.

Authors:  Felcy Fabiola; Richard Bertram; Andrei Korostelev; Michael S Chapman
Journal:  Protein Sci       Date:  2002-06       Impact factor: 6.725

2.  Consequences of a subtle sialic acid modification on the murine polyomavirus receptor.

Authors:  M Herrmann; C W von der Lieth; P Stehling; W Reutter; M Pawlita
Journal:  J Virol       Date:  1997-08       Impact factor: 5.103

3.  On the suitability of semiempirical calculations as sources of force field parameters.

Authors:  C Alemán; M Orozco
Journal:  J Comput Aided Mol Des       Date:  1992-08       Impact factor: 3.686

4.  Reversible mechanical unfolding of single ubiquitin molecules.

Authors:  Chia-Lin Chyan; Fan-Chi Lin; Haibo Peng; Jian-Min Yuan; Chung-Hung Chang; Sheng-Hsien Lin; Guoliang Yang
Journal:  Biophys J       Date:  2004-09-10       Impact factor: 4.033

5.  A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals.

Authors:  Gül Altınbaş Özpınar; Frank R Beierlein; Wolfgang Peukert; Dirk Zahn; Timothy Clark
Journal:  J Mol Model       Date:  2012-01-27       Impact factor: 1.810

6.  A new approach to empirical intermolecular and conformational potential energy functions. II. Applications to crystal packing, rotational barriers, and conformational analysis.

Authors:  A W Burgess; L L Shipman; H A Scheraga
Journal:  Proc Natl Acad Sci U S A       Date:  1975-03       Impact factor: 11.205

7.  Effect of Pt and Sn on the adsorption of n-heptane in gamma-Al2O3 catalyst models.

Authors:  Bartłomiej Szyja; Jerzy Szczygieł; Iwona Tymków
Journal:  J Mol Model       Date:  2005-05-12       Impact factor: 1.810

8.  Derivation of force fields for molecular mechanics and dynamics from ab initio energy surfaces.

Authors:  J R Maple; U Dinur; A T Hagler
Journal:  Proc Natl Acad Sci U S A       Date:  1988-08       Impact factor: 11.205

9.  Molecular modeling on pyruvate phosphate dikinase of Entamoeba histolytica and in silico virtual screening for novel inhibitors.

Authors:  Preyesh Stephen; Ramachandran Vijayan; Audesh Bhat; N Subbarao; R N K Bamezai
Journal:  J Comput Aided Mol Des       Date:  2007-08-21       Impact factor: 3.686

10.  Rational design of hirulog-type inhibitors of thrombin.

Authors:  U Egner; G A Hoyer; W D Schleuning
Journal:  J Comput Aided Mol Des       Date:  1994-10       Impact factor: 3.686
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