Literature DB >> 4851861

Energy functions for peptides and proteins. II. The amide hydrogen bond and calculation of amide crystal properties.

A T Hagler, S Lifson.   

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Year:  1974        PMID： 4851861     DOI： 10.1021/ja00824a005

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


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  14 in total

1.  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

2.  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

Review 3.  Metal Ion Modeling Using Classical Mechanics.

Authors:  Pengfei Li; Kenneth M Merz
Journal:  Chem Rev       Date:  2017-01-03       Impact factor: 60.622

Review 4.  Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics.

Authors:  A T Hagler
Journal:  J Comput Aided Mol Des       Date:  2018-11-30       Impact factor: 3.686

Review 5.  Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there?

Authors:  Pnina Dauber-Osguthorpe; A T Hagler
Journal:  J Comput Aided Mol Des       Date:  2018-11-30       Impact factor: 3.686

6.  PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking.

Authors:  Sung Bo Hwang; Chang Joon Lee; Sehan Lee; Songling Ma; Young-Mook Kang; Kwang Hwi Cho; Su-Yeon Kim; Oh Young Kwon; Chang No Yoon; Young Kee Kang; Jeong Hyeok Yoon; Ky-Youb Nam; Seong-Gon Kim; Youngyong In; Han Ha Chai; William E Acree; J Andrew Grant; Ken D Gibson; Mu Shik Jhon; Harold A Scheraga; Kyoung Tai No
Journal:  J Phys Chem B       Date:  2020-01-29       Impact factor: 2.991

7.  Structure and dynamics of ion transport through gramicidin A.

Authors:  D H Mackay; P H Berens; K R Wilson; A T Hagler
Journal:  Biophys J       Date:  1984-08       Impact factor: 4.033

8.  Evaluation of Density Functionals, SCC-DFTB, Neglect of Diatomic Differential Overlap (NDDO) Models and Molecular Mechanics Methods for Prolyl-Leucyl-Glycinamide (PLG) and Structural Derivatives.

Authors:  Richard L Wood; Brendan J Young-Dixon; Abhrajeet Roy; Bryant C Gay; Rodney L Johnson; Elizabeth A Amin
Journal:  Theochem       Date:  2010-03-30

9.  On the formation of protein tertiary structure on a computer.

Authors:  A T Hagler; B Honig
Journal:  Proc Natl Acad Sci U S A       Date:  1978-02       Impact factor: 11.205

10.  A structural model for the prostate disease marker, human prostate-specific antigen.

Authors:  B O Villoutreix; E D Getzoff; J H Griffin
Journal:  Protein Sci       Date:  1994-11       Impact factor: 6.725
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