Literature DB >> 6285364

Electrostatic potential molecular surfaces.

P K Weiner, R Langridge, J M Blaney, R Schaefer, P A Kollman.   

Abstract

Color-coded computer graphics representations of the electrostatic potentials of trypsin, trypsin-inhibitor, prealbumin and its thyroxine complex, fragments of double-helical DNA, and a netropsin--DNA complex illustrate the electrostatic and topographic complementarity in macromolecule-ligand interactions. This approach is powerful in revealing intermolecular specificity and shows promise of having predictive value in drug design.

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Year:  1982        PMID： 6285364      PMCID： PMC346505          DOI： 10.1073/pnas.79.12.3754

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN： 0027-8424            Impact factor:   11.205


  31 in total

1.  A theoretical and experimental study of the semirigid cholinergic agonist 3-acetoxyquinuclidine.

Authors:  H Weinstein; S Maayani; S Srebrenik; S Cohen; M Sokolovsky
Journal:  Mol Pharmacol       Date:  1975-09       Impact factor: 4.436

2.  Sequence-specific recognition of double helical nucleic acids by proteins.

Authors:  N C Seeman; J M Rosenberg; A Rich
Journal:  Proc Natl Acad Sci U S A       Date:  1976-03       Impact factor: 11.205

3.  DNA binding of thyroid hormone receptors.

Authors:  K N MacLeod; J D Baxter
Journal:  Biochem Biophys Res Commun       Date:  1975-02-03       Impact factor: 3.575

4.  Electrostatic potentials of proteins. 1. Carboxypeptidase A.

Authors:  D M Hayes; P A Kollman
Journal:  J Am Chem Soc       Date:  1976-05-26       Impact factor: 15.419

5.  Electrostatic potentials of proteins. 2. Role of electrostatics in a possible catalytic mechanism for carboxypeptidase A.

Authors:  D M Hayes; P A Kollman
Journal:  J Am Chem Soc       Date:  1976-11-24       Impact factor: 15.419

6.  Netropsin. A specific probe for A-T regions of duplex deoxyribonucleic acid.

Authors:  R M Wartell; J E Larson; R D Wells
Journal:  J Biol Chem       Date:  1974-11-10       Impact factor: 5.157

7.  The interaction of human plasma retinol-binding protein and prealbumin.

Authors:  P P van Jaarsveld; H Edelhoch; D S Goodman; J Robbins
Journal:  J Biol Chem       Date:  1973-07-10       Impact factor: 5.157

8.  Influence of netropsin and distamycin A on the secondary structure and template activity of DNA.

Authors:  C Zimmer; B Puschendorf; H Grunicke; P Chandra; H Venner
Journal:  Eur J Biochem       Date:  1971-07-29

9.  Molecular orbital studies of thyroid hormone analogs.

Authors:  P A Kollman; W J Murray; M E Nuss; E C Jorgensen; S Rothenberg
Journal:  J Am Chem Soc       Date:  1973-12-26       Impact factor: 15.419

10.  Trypsin-pancreatic trypsin inhibitor association. Dynamics of the interaction and role of disulfide bridges.

Authors:  J P Vincent; M Lazdunski
Journal:  Biochemistry       Date:  1972-08-01       Impact factor: 3.162
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  42 in total

1.  Global 3D-QSAR methods: MS-WHIM and autocorrelation.

Authors:  E Gancia; G Bravi; P Mascagni; A Zaliani
Journal:  J Comput Aided Mol Des       Date:  2000-03       Impact factor: 3.686

2.  Exploration of the binding of curcumin analogues to human P450 2C9 based on docking and molecular dynamics simulation.

Authors:  Rongwei Shi; Yin Wang; Xiaolei Zhu; Xiaohua Lu
Journal:  J Mol Model       Date:  2011-11-12       Impact factor: 1.810

3.  Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies.

Authors:  Felipe A Bulat; Alejandro Toro-Labbé; Tore Brinck; Jane S Murray; Peter Politzer
Journal:  J Mol Model       Date:  2010-04-02       Impact factor: 1.810

4.  Cavity search: an algorithm for the isolation and display of cavity-like binding regions.

Authors:  C M Ho; G R Marshall
Journal:  J Comput Aided Mol Des       Date:  1990-12       Impact factor: 3.686

Review 5.  Molecular recognition: models for drug design.

Authors:  R J Breckenridge
Journal:  Experientia       Date:  1991-12-01

6.  Conformation and electrostatic potential surfaces of opiates: Relationship to µ- and λ-site binding.

Authors:  T P Lybrand; P A Kollman; V C Yu; W Sadée
Journal:  Pharm Res       Date:  1986-08       Impact factor: 4.200

7.  Triangulation algorithms for the representation of molecular surface properties.

Authors:  W Heiden; M Schlenkrich; J Brickmann
Journal:  J Comput Aided Mol Des       Date:  1990-09       Impact factor: 3.686

8.  Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential.

Authors:  Chérif F Matta
Journal:  J Comput Chem       Date:  2014-04-29       Impact factor: 3.376

9.  Precision knockdown of EGFR gene expression using radio frequency electromagnetic energy.

Authors:  Ilya V Ulasov; Haidn Foster; Mike Butters; Jae-Geun Yoon; Tomoko Ozawa; Theodore Nicolaides; Xavier Figueroa; Parvinder Hothi; Michael Prados; John Butters; Charles Cobbs
Journal:  J Neurooncol       Date:  2017-04-22       Impact factor: 4.130

10.  Effect of alkali atom doping on the electronic structure and aromatic character of planar and quasi-planar Al13+ clusters.

Authors:  Surajit Guin; Atish Dipankar Jana
Journal:  J Mol Model       Date:  2021-08-01       Impact factor: 1.810
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