Literature DB >> 5060756

Energy parameters in polypeptides. V. An empirical hydrogen bond potential function based on molecular orbital calculations.

R F McGuire, F A Momany, H A Scheraga.   

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Year:  1972        PMID： 5060756     DOI： 10.1021/j100647a017

Source DB:  PubMed          Journal:  J Phys Chem        ISSN： 0022-3654


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  9 in total

1.  A new hydrogen-bonding potential for the design of protein-RNA interactions predicts specific contacts and discriminates decoys.

Authors:  Yu Chen; Tanja Kortemme; Tim Robertson; David Baker; Gabriele Varani
Journal:  Nucleic Acids Res       Date:  2004-09-30       Impact factor: 16.971

2.  Conformational flexibility and protein folding: rigid structural fragments connected by flexible joints in subtilisin BPN.

Authors:  B Honig; A Ray; C Levinthal
Journal:  Proc Natl Acad Sci U S A       Date:  1976-06       Impact factor: 11.205

3.  A new approach to empirical intermolecular and conformational potential energy functions. I. Description of model and derivation of parameters.

Authors:  L L Shipman; A W Burgess; H A Scheraga
Journal:  Proc Natl Acad Sci U S A       Date:  1975-02       Impact factor: 11.205

4.  Refinement of the X-ray Structure of Rubredoxin by Conformational Energy Calculations.

Authors:  D Rasse; P K Warme; H A Scheraga
Journal:  Proc Natl Acad Sci U S A       Date:  1974-09       Impact factor: 11.205

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

Review 6.  Conformational analysis of thyrotropin releasing factor.

Authors:  A W Burgess; F A Momany; H A Scheraga
Journal:  Proc Natl Acad Sci U S A       Date:  1973-05       Impact factor: 11.205

7.  Ab initio calculations on large molecules using molecular fragments. Evidence of hydrogen bonding in polypeptides of glycine.

Authors:  L L Shipman; R E Christoffersen
Journal:  Proc Natl Acad Sci U S A       Date:  1972-11       Impact factor: 11.205

8.  Conformational characteristics of the dimeric subunits of DNA from energy minimization studies. Mixed sugar-puckered dApdA, dApdT, dTpdA, and dTpdT.

Authors:  P K Ponnuswamy; P Thiyagarajan
Journal:  Biophys J       Date:  1981-09       Impact factor: 4.033

9.  FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules.

Authors:  Anmol Kumar; Ozge Yoluk; Alexander D MacKerell
Journal:  J Comput Chem       Date:  2019-12-30       Impact factor: 3.376
  9 in total

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