Literature DB >> 12413030

VEGA: a versatile program to convert, handle and visualize molecular structure on Windows-based PCs.

Alessandro Pedretti1, Luigi Villa, Giulio Vistoli.   

Abstract

We here propose the program VEGA, that was developed to create a bridge between the most popular molecular software packages. In this tool some features are implemented some features to analyze, display and manage the three dimensional (3D) structure of the molecules. The most important features are (1) file format conversion (with assignment of the atom types and atomic charges), (2) surface calculation and (3) trajectory analysis. The executable and the source code can be free downloaded from [URL: see text].

Mesh：

Substances：

Year:  2002        PMID： 12413030     DOI： 10.1016/s1093-3263(02)00123-7

Source DB:  PubMed          Journal:  J Mol Graph Model        ISSN： 1093-3263            Impact factor:   2.518


  86 in total

1.  E-MSD: the European Bioinformatics Institute Macromolecular Structure Database.

Authors:  H Boutselakis; D Dimitropoulos; J Fillon; A Golovin; K Henrick; A Hussain; J Ionides; M John; P A Keller; E Krissinel; P McNeil; A Naim; R Newman; T Oldfield; J Pineda; A Rachedi; J Copeland; A Sitnov; S Sobhany; A Suarez-Uruena; J Swaminathan; M Tagari; J Tate; S Tromm; S Velankar; W Vranken
Journal:  Nucleic Acids Res       Date:  2003-01-01       Impact factor: 16.971

2.  VEGA--an open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming.

Authors:  Alessandro Pedretti; Luigi Villa; Giulio Vistoli
Journal:  J Comput Aided Mol Des       Date:  2004-03       Impact factor: 3.686

3.  Design of ligand binding to an engineered protein cavity using virtual screening and thermal up-shift evaluation.

Authors:  Claudia Machicado; Jon López-Llano; Santiago Cuesta-López; Marta Bueno; Javier Sancho
Journal:  J Comput Aided Mol Des       Date:  2005-06       Impact factor: 3.686

4.  Improvement of aripiprazole solubility by complexation with (2-hydroxy)propyl-β-cyclodextrin using spray drying technique.

Authors:  Tijana Mihajlovic; Kyriakos Kachrimanis; Adrijana Graovac; Zorica Djuric; Svetlana Ibric
Journal:  AAPS PharmSciTech       Date:  2012-04-26       Impact factor: 3.246

5.  Structural insight into tetrameric hTRPV1 from homology modeling, molecular docking, molecular dynamics simulation, virtual screening, and bioassay validations.

Authors:  Zhiwei Feng; Larry V Pearce; Xiaomeng Xu; Xiaole Yang; Peng Yang; Peter M Blumberg; Xiang-Qun Xie
Journal:  J Chem Inf Model       Date:  2015-02-18       Impact factor: 4.956

6.  Rearrangements in the relative orientation of cytoplasmic domains induced by a membrane-anchored protein mediate modulations in Kv channel gating.

Authors:  Anatoli Lvov; Dafna Greitzer; Shai Berlin; Dodo Chikvashvili; Sharon Tsuk; Ilana Lotan; Izhak Michaelevski
Journal:  J Biol Chem       Date:  2009-08-18       Impact factor: 5.157

7.  Molecular dynamics studies on HIV-1 protease: a comparison of the flap motions between wild type protease and the M46I/G51D double mutant.

Authors:  Antonino Lauria; Mario Ippolito; Anna Maria Almerico
Journal:  J Mol Model       Date:  2007-09-06       Impact factor: 1.810

8.  In silico screening for antibiotic escort molecules to overcome efflux.

Authors:  Sheikh S Rahman; Ivana Simovic; Simon Gibbons; Mire Zloh
Journal:  J Mol Model       Date:  2011-02-08       Impact factor: 1.810

9.  Inhibiting TRAF2-mediated activation of NF-kappaB facilitates induction of AP-1.

Authors:  Sunil K Manna; Banaganapalli Babajan; Pongali B Raghavendra; Nune Raviprakash; Chitta Sureshkumar
Journal:  J Biol Chem       Date:  2010-02-04       Impact factor: 5.157

10.  Novel bifunctional quinolonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, biological activities, and mechanism of action.

Authors:  Roberto Di Santo; Roberta Costi; Alessandra Roux; Marino Artico; Antonio Lavecchia; Luciana Marinelli; Ettore Novellino; Lucia Palmisano; Mauro Andreotti; Roberta Amici; Clementina Maria Galluzzo; Lucia Nencioni; Anna Teresa Palamara; Yves Pommier; Christophe Marchand
Journal:  J Med Chem       Date:  2006-03-23       Impact factor: 7.446
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.