Literature DB >> 2197373

MOPAC: a semiempirical molecular orbital program.

J J Stewart1.   

Abstract

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Year:  1990        PMID： 2197373     DOI： 10.1007/bf00128336

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


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  225 in total

1.  Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore.

Authors:  O Nicolotti; M Pellegrini-Calace; A Carrieri; C Altomare; N B Centeno; F Sanz; A Carotti
Journal:  J Comput Aided Mol Des       Date:  2001-09       Impact factor: 3.686

2.  Differentiation of delta, mu, and kappa opioid receptor agonists based on pharmacophore development and computed physicochemical properties.

Authors:  M Filizola; H O Villar; G H Loew
Journal:  J Comput Aided Mol Des       Date:  2001-04       Impact factor: 3.686

3.  Profiling charge complementarity and selectivity for binding at the protein surface.

Authors:  Traian Sulea; Enrico O Purisima
Journal:  Biophys J       Date:  2003-05       Impact factor: 4.033

4.  Can we separate active from inactive conformations?

Authors:  David J Diller; Kenneth M Merz
Journal:  J Comput Aided Mol Des       Date:  2002-02       Impact factor: 3.686

5.  3D-QSAR and molecular modeling of HIV-1 integrase inhibitors.

Authors:  Mahindra T Makhija; Vithal M Kulkarni
Journal:  J Comput Aided Mol Des       Date:  2002-03       Impact factor: 3.686

6.  Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks.

Authors:  S J Patankar; P C Jurs
Journal:  J Comput Aided Mol Des       Date:  2003 Feb-Apr       Impact factor: 3.686

7.  Gaussian mapping of chemical fragments in ligand binding sites.

Authors:  Kun Wang; Marta Murcia; Pere Constans; Carlos Pérez; Angel R Ortiz
Journal:  J Comput Aided Mol Des       Date:  2004-02       Impact factor: 3.686

8.  Sequence-specific artificial ribonucleases. I. Bis-imidazole-containing oligonucleotide conjugates prepared using precursor-based strategy.

Authors:  Natalia G Beloglazova; Martin M Fabani; Marina A Zenkova; Elena V Bichenkova; Nikolai N Polushin; Vladimir V Sil'nikov; Kenneth T Douglas; Valentin V Vlassov
Journal:  Nucleic Acids Res       Date:  2004-07-23       Impact factor: 16.971

9.  The perspectives of computational chemistry modeling.

Authors:  Igor V Tetko
Journal:  J Comput Aided Mol Des       Date:  2011-12-11       Impact factor: 3.686

10.  A reverse combination of structure-based and ligand-based strategies for virtual screening.

Authors:  Alvaro Cortés-Cabrera; Federico Gago; Antonio Morreale
Journal:  J Comput Aided Mol Des       Date:  2012-03-07       Impact factor: 3.686
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