Nonexistence of local maxima in molecular electrostatic potential maps

Shridhar R Gadre; Rajeev K Pathak

doi:10.1007/bf02860157

Nonexistence of local maxima in molecular electrostatic potential maps

Journal of Chemical Sciences ◽

10.1007/bf02860157 ◽

1990 ◽

Vol 102 (2) ◽

pp. 189-192 ◽

Cited By ~ 1

Author(s):

Shridhar R Gadre ◽

Rajeev K Pathak

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Local Maxima ◽

Molecular Electrostatic Potential Maps

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Rapid evaluation of molecular electrostatic potential maps for amino acids, peptides, and proteins by empirical functions

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(199605)17:7<790::aid-jcc4>3.0.co;2-n ◽

1996 ◽

Vol 17 (7) ◽

pp. 790-805 ◽

Cited By ~ 2

Author(s):

Hideo Nakajima ◽

Ohgi Takahashi ◽

Osamu Kikuchi

Keyword(s):

Amino Acids ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Rapid Evaluation ◽

Molecular Electrostatic Potential Maps

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Contributions of crystal structures, molecular electrostatic potential maps, and lipophilicity data to structure-activity relationships of some conformationally restricted nortropane benzamide neuroleptics

Journal of Crystallographic and Spectroscopic Research ◽

10.1007/bf01160656 ◽

1991 ◽

Vol 21 (4) ◽

pp. 431-443 ◽

Cited By ~ 4

Author(s):

Sonia Collin ◽

Alain Patiny ◽

Daniel P. Vercauteren ◽

Bernadette Norberg ◽

Guy Evrard ◽

...

Keyword(s):

Crystal Structures ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Structure Activity Relationships ◽

Conformationally Restricted ◽

Structure Activity ◽

Molecular Electrostatic Potential Maps

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Modified hybridization displacement charge scheme for ?-electron systems: Study of molecular electrostatic potential maps

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1999)71:2<191::aid-qua8>3.0.co;2-7 ◽

1999 ◽

Vol 71 (2) ◽

pp. 191-200 ◽

Cited By ~ 10

Author(s):

P. C. Mishra ◽

Anil Kumar

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Electron Systems ◽

Molecular Electrostatic Potential Maps ◽

Hybridization Displacement Charge

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Near ab initio quality molecular electrostatic potential maps using hybridization displacement charges at PM3 level and effects of geometrical changes in amino groups

International Journal of Quantum Chemistry ◽

10.1002/qua.1045 ◽

2001 ◽

Vol 82 (6) ◽

pp. 299-312 ◽

Cited By ~ 8

Author(s):

A. K. Singh ◽

P. S. Kushwaha ◽

P. C. Mishra

Keyword(s):

Ab Initio ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Amino Groups ◽

Molecular Electrostatic Potential Maps

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Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17β-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-011-9464-7 ◽

2011 ◽

Vol 25 (9) ◽

pp. 795-811 ◽

Cited By ~ 14

Author(s):

Matthias Negri ◽

Maurizio Recanatini ◽

Rolf W. Hartmann

Keyword(s):

Molecular Dynamics ◽

Free Energy ◽

Molecular Dynamics Simulations ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Binding Mode ◽

Free Energy Calculations ◽

Computational Investigation ◽

Dynamics Simulations ◽

Molecular Electrostatic Potential Maps

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Rapid evaluation of molecular electrostatic potential maps by simple analytical functions

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(92)87157-u ◽

1992 ◽

Vol 256 ◽

pp. 47-60 ◽

Cited By ~ 6

Author(s):

Osamu Kikuchi ◽

Kazuhiko Horikoshi ◽

Ohgi Takahashi

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Rapid Evaluation ◽

Analytical Functions ◽

Molecular Electrostatic Potential Maps

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Molecular electrostatic potential maps of the anti-cancer drugs daunomycin and adriamycin: an ab initio theoretical study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(03)00472-x ◽

2003 ◽

Vol 636 (1-3) ◽

pp. 149-156 ◽

Cited By ~ 8

Author(s):

P.S. Kushwaha ◽

P.C. Mishra

Keyword(s):

Ab Initio ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Theoretical Study ◽

Cancer Drugs ◽

Anti Cancer ◽

Molecular Electrostatic Potential Maps

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Similarity study of phenothiazines using molecular electrostatic potential maps

10.1063/1.47822 ◽

1995 ◽

Author(s):

Gyula Tasi ◽

István Pálinko ◽

Levente Nyerges ◽

István Farkas ◽

Imre Labádi

Keyword(s):

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Molecular Electrostatic Potential Maps

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Azaindole derivatives with high affinity for the dopamine D4 receptor: Synthesis, ligand binding studies and comparison of molecular electrostatic potential maps

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/s0960-894x(98)00692-1 ◽

1999 ◽

Vol 9 (1) ◽

pp. 97-102 ◽

Cited By ~ 62

Author(s):

Stefan Löber ◽

Harald Hübner ◽

Peter Gmeiner

Keyword(s):

Ligand Binding ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Dopamine D4 Receptor ◽

Binding Studies ◽

High Affinity ◽

D4 Receptor ◽

Molecular Electrostatic Potential Maps

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An ab initio study of excited state molecular electrostatic potential maps and other related properties of 5-fluorouracil: a comparative study with uracil

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00584-4 ◽

2001 ◽

Vol 535 (1-3) ◽

pp. 269-277 ◽

Cited By ~ 8

Author(s):

M.K. Shukla ◽

A. Kumar ◽

P.C. Mishra

Keyword(s):

Excited State ◽

Comparative Study ◽

Ab Initio ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Ab Initio Study ◽

Molecular Electrostatic Potential Maps

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