Derivatives of molecular surface area and volume: Simple and exact analytical formulas

Konstantin V. Klenin; Frank Tristram; Timo Strunk; Wolfgang Wenzel

doi:10.1002/jcc.21844

Derivatives of molecular surface area and volume: Simple and exact analytical formulas

Journal of Computational Chemistry ◽

10.1002/jcc.21844 ◽

2011 ◽

Vol 32 (12) ◽

pp. 2647-2653 ◽

Cited By ~ 25

Author(s):

Konstantin V. Klenin ◽

Frank Tristram ◽

Timo Strunk ◽

Wolfgang Wenzel

Keyword(s):

Surface Area ◽

Molecular Surface ◽

Molecular Surface Area ◽

Analytical Formulas ◽

Derivatives Of ◽

Area And Volume

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Investigation of the molecular surface area and volume: Defined and calculated by the molecular face theory

Journal of Computational Chemistry ◽

10.1002/jcc.21496 ◽

2010 ◽

Vol 31 (11) ◽

pp. 2098-2108 ◽

Cited By ~ 21

Author(s):

Li-Dong Gong ◽

Zhong-Zhi Yang

Keyword(s):

Surface Area ◽

Molecular Surface ◽

Molecular Surface Area ◽

Area And Volume

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A fast pairwise evaluation of molecular surface area

Journal of Computational Chemistry ◽

10.1002/jcc.10035 ◽

2002 ◽

Vol 23 (7) ◽

pp. 737-745 ◽

Cited By ~ 5

Author(s):

Vladislav Vasilyev ◽

Enrico O. Purisima

Keyword(s):

Surface Area ◽

Molecular Surface ◽

Molecular Surface Area

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Solution Structures of α-Cyclodextrin Complexes with Propanol and Propanesulfonate Estimated from NMR and Molecular Surface Area

The Journal of Physical Chemistry B ◽

10.1021/jp0147170 ◽

2002 ◽

Vol 106 (25) ◽

pp. 6431-6436 ◽

Cited By ~ 11

Author(s):

Noriaki Funasaki ◽

Seiji Ishikawa ◽

Saburo Neya

Keyword(s):

Surface Area ◽

Molecular Surface ◽

Cyclodextrin Complexes ◽

Solution Structures ◽

Molecular Surface Area

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Molecular surface area and hydrophobic effect

Protein Engineering Design and Selection ◽

10.1093/protein/5.8.715 ◽

1992 ◽

Vol 5 (8) ◽

pp. 715-716 ◽

Cited By ~ 70

Author(s):

I. Tuñón ◽

E. Silla ◽

J.L. Pascual-Ahuir

Keyword(s):

Surface Area ◽

Hydrophobic Effect ◽

Molecular Surface ◽

Molecular Surface Area

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Calculations of Molecular Surface Area Changes with Docking of Host and Guest and Applications to Cyclodextrin Inclusion

The Journal of Physical Chemistry B ◽

10.1021/jp983217c ◽

1999 ◽

Vol 103 (8) ◽

pp. 1208-1215 ◽

Cited By ~ 10

Author(s):

Seiji Ishikawa ◽

Sakae Hada ◽

Saburo Neya ◽

Noriaki Funasaki

Keyword(s):

Surface Area ◽

Molecular Surface ◽

Molecular Surface Area ◽

Cyclodextrin Inclusion

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ChemInform Abstract: Software Development for Calculation of Molecular Surface Area and Its Application to Hydrophobic Interaction

ChemInform ◽

10.1002/chin.200138298 ◽

2010 ◽

Vol 32 (38) ◽

pp. no-no

Author(s):

Seiji Ishikawa

Keyword(s):

Software Development ◽

Surface Area ◽

Hydrophobic Interaction ◽

Molecular Surface ◽

Molecular Surface Area

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Solvophobic forces and molecular surface area changes in drug-biomolecule associations as with actinomycin-deoxyguanosine in a wide range of methanol/water mixtures

Biophysical Chemistry ◽

10.1016/0301-4622(85)80003-x ◽

1985 ◽

Vol 21 (3-4) ◽

pp. 167-171 ◽

Cited By ~ 11

Author(s):

Oktay Sinanoǧlu ◽

Ariel Fernández

Keyword(s):

Surface Area ◽

Molecular Surface ◽

Molecular Surface Area ◽

Wide Range

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Novel Method for Molecular Surface Area Calculation and Its Application for the Micelle Formation of Lecithins

The Journal of Physical Chemistry ◽

10.1021/j100029a032 ◽

1995 ◽

Vol 99 (29) ◽

pp. 11508-11514 ◽

Cited By ~ 5

Author(s):

Seiji Ishikawa ◽

Sakae Hada ◽

Noriaki Funasaki

Keyword(s):

Surface Area ◽

Micelle Formation ◽

Molecular Surface ◽

Molecular Surface Area ◽

Novel Method

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Prediction of solibility of aromatic compounds in water by using total molecular surface area.

NIPPON KAGAKU KAISHI ◽

10.1246/nikkashi.1987.1615 ◽

1987 ◽

pp. 1615-1622 ◽

Cited By ~ 5

Author(s):

Hideko KISHI ◽

Masayuki NAKAMURA ◽

Yoshikazu HASHIMOTO

Keyword(s):

Surface Area ◽

Aromatic Compounds ◽

Molecular Surface ◽

Molecular Surface Area

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Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption

Journal of Pharmaceutical Sciences ◽

10.1021/js9804011 ◽

1999 ◽

Vol 88 (8) ◽

pp. 807-814 ◽

Cited By ~ 332

Author(s):

David E. Clark

Keyword(s):

Intestinal Absorption ◽

Surface Area ◽

Transport Phenomena ◽

Molecular Surface ◽

Molecular Surface Area ◽

Rapid Calculation ◽

Polar Molecular Surface Area

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