Literature DB >> 7854189

Use of molecular dynamics and free energy perturbation calculations in anti-human immunodeficiency virus drug design.

M A McCarrick1, P Kollman.   

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Year:  1994        PMID： 7854189     DOI： 10.1016/0076-6879(94)41074-7

Source DB:  PubMed          Journal:  Methods Enzymol        ISSN： 0076-6879            Impact factor:   1.600


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  4 in total

Review 1.  Identification of HIV inhibitors guided by free energy perturbation calculations.

Authors:  Orlando Acevedo; Zandrea Ambrose; Patrick T Flaherty; Hadega Aamer; Prashi Jain; Somisetti V Sambasivarao
Journal:  Curr Pharm Des       Date:  2012       Impact factor: 3.116

2.  Predicting relative binding affinities of non-peptide HIV protease inhibitors with free energy perturbation calculations.

Authors:  M A McCarrick; P A Kollman
Journal:  J Comput Aided Mol Des       Date:  1999-03       Impact factor: 3.686

3.  A preference-based free-energy parameterization of enzyme-inhibitor binding. Applications to HIV-1-protease inhibitor design.

Authors:  A Wallqvist; R L Jernigan; D G Covell
Journal:  Protein Sci       Date:  1995-09       Impact factor: 6.725

4.  Calculation of solvation and binding free energy differences between VX-478 and its analogs by free energy perturbation and AMSOL methods.

Authors:  B G Rao; E E Kim; M A Murcko
Journal:  J Comput Aided Mol Des       Date:  1996-02       Impact factor: 3.686
  4 in total

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