Literature DB >> 3045319

An analysis of current methodologies for conformational searching of complex molecules.

A E Howard1, P A Kollman.   

Abstract

Mesh：

Year:  1988        PMID： 3045319     DOI： 10.1021/jm00117a001

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


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  9 in total

1.  Enhanced sampling of the molecular potential energy surface using mutually orthogonal latin squares: application to peptide structures.

Authors:  K Vengadesan; N Gautham
Journal:  Biophys J       Date:  2003-05       Impact factor: 4.033

2.  Molecular-dynamics investigation of molecular flexibility in ligand binding.

Authors:  B Mao
Journal:  Biochem J       Date:  1992-11-15       Impact factor: 3.857

3.  Computational simulations of the conformational behaviour of the adhesive proteins RGDS fragment.

Authors:  M Cotrait; M Kreissler; J Hoflack; J M Lehn; B Maigret
Journal:  J Comput Aided Mol Des       Date:  1992-04       Impact factor: 3.686

Review 4.  Exploring conformational space using a mean field technique with MOLS sampling.

Authors:  P Arun Prasad; V Kanagasabai; J Arunachalam; N Gautham
Journal:  J Biosci       Date:  2007-08       Impact factor: 1.826

Review 5.  X-ray scattering combined with coordinate-based analyses for applications in natural and artificial photosynthesis.

Authors:  David M Tiede; Kristy L Mardis; Xiaobing Zuo
Journal:  Photosynth Res       Date:  2009 Nov-Dec       Impact factor: 3.573

6.  The role of structure-based ligand design and molecular modelling in drug discovery.

Authors:  J P Tollenaere
Journal:  Pharm World Sci       Date:  1996-04

7.  Solution conformations of the B-loop fragments of human transforming growth factor alpha and epidermal growth factor by 1H nuclear magnetic resonance and restrained molecular dynamics.

Authors:  K H Han; J L Syi; B R Brooks; J A Ferretti
Journal:  Proc Natl Acad Sci U S A       Date:  1990-04       Impact factor: 11.205

Review 8.  Strategies for indirect computer-aided drug design.

Authors:  G H Loew; H O Villar; I Alkorta
Journal:  Pharm Res       Date:  1993-04       Impact factor: 4.200

9.  SPROUT: a program for structure generation.

Authors:  V Gillet; A P Johnson; P Mata; S Sike; P Williams
Journal:  J Comput Aided Mol Des       Date:  1993-04       Impact factor: 3.686
  9 in total

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