Literature DB >> 29160584

An all atom force field for simulations of proteins and nucleic acids.

Scott J Weiner1, Peter A Kollman1, Dzung T Nguyen2, David A Case2.   

Abstract

Year:  1986        PMID： 29160584     DOI： 10.1002/jcc.540070216

Source DB:  PubMed          Journal:  J Comput Chem        ISSN： 0192-8651            Impact factor:   3.376


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  91 in total

1.  Dual epitope recognition by the VASP EVH1 domain modulates polyproline ligand specificity and binding affinity.

Authors:  L J Ball; R Kühne; B Hoffmann; A Häfner; P Schmieder; R Volkmer-Engert; M Hof; M Wahl; J Schneider-Mergener; U Walter; H Oschkinat; T Jarchau
Journal:  EMBO J       Date:  2000-09-15       Impact factor: 11.598

2.  Role of backbone solvation and electrostatics in generating preferred peptide backbone conformations: distributions of phi.

Authors:  Franc Avbelj; Robert L Baldwin
Journal:  Proc Natl Acad Sci U S A       Date:  2003-04-22       Impact factor: 11.205

3.  Distance-scaled, finite ideal-gas reference state improves structure-derived potentials of mean force for structure selection and stability prediction.

Authors:  Hongyi Zhou; Yaoqi Zhou
Journal:  Protein Sci       Date:  2002-11       Impact factor: 6.725

4.  Like-charged residues at the ends of oligoalanine sequences might induce a chain reversal.

Authors:  Joanna Makowska; Adam Liwo; Wioletta Zmudzińska; Agnieszka Lewandowska; Lech Chmurzyński; Harold A Scheraga
Journal:  Biopolymers       Date:  2011-12-09       Impact factor: 2.505

5.  Biopolymer Chain Elasticity: A novel concept and a least deformation energy principle predicts backbone and overall folding of DNA TTT hairpins in agreement with NMR distances.

Authors:  Christophe Pakleza; Jean A H Cognet
Journal:  Nucleic Acids Res       Date:  2003-02-01       Impact factor: 16.971

6.  DNA tri- and tetra-loops and RNA tetra-loops hairpins fold as elastic biopolymer chains in agreement with PDB coordinates.

Authors:  Guillaume P H Santini; Christophe Pakleza; Jean A H Cognet
Journal:  Nucleic Acids Res       Date:  2003-02-01       Impact factor: 16.971

7.  Hybrid global optimization algorithms for protein structure prediction: alternating hybrids.

Authors:  J L Klepeis; M J Pieja; C A Floudas
Journal:  Biophys J       Date:  2003-02       Impact factor: 4.033

8.  Molecular engineering of RANTES peptide mimetics with potent anti-HIV-1 activity.

Authors:  Paolo Lusso; Luca Vangelista; Raffaello Cimbro; Massimiliano Secchi; Francesca Sironi; Renato Longhi; Marina Faiella; Ornella Maglio; Vincenzo Pavone
Journal:  FASEB J       Date:  2011-01-03       Impact factor: 5.191

9.  Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5.

Authors:  Yuemin Bian; Zhiwei Feng; Peng Yang; Xiang-Qun Xie
Journal:  AAPS J       Date:  2017-05-30       Impact factor: 4.009

10.  Rapid genotyping using pyrene-perylene locked nucleic acid complexes.

Authors:  T Santhosh Kumar; Anna Myznikova; Evgeniya Samokhina; Irina Kira Astakhova
Journal:  Artif DNA PNA XNA       Date:  2013 Apr-Jun
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