molecular interaction field Latest Research Papers

A molecular interaction field describing nonconventional intermolecular interactions and its application to protein–ligand interaction prediction

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2019.107515 ◽

2020 ◽

Vol 96 ◽

pp. 107515 ◽

Cited By ~ 1

Author(s):

Daichi Hayakawa ◽

Nahoko Sawada ◽

Yurie Watanabe ◽

Hiroaki Gouda

Keyword(s):

Intermolecular Interactions ◽

Molecular Interaction ◽

Ligand Interaction ◽

Interaction Prediction ◽

Interaction Field ◽

Molecular Interaction Field ◽

Protein Ligand Interaction

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Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays

Journal of Inorganic Biochemistry ◽

10.1016/j.jinorgbio.2019.110720 ◽

2019 ◽

Vol 198 ◽

pp. 110720

Author(s):

Nada Bošnjaković-Pavlović ◽

Xiao Xu ◽

Danijela Krstić ◽

Jean-Michel Gillet ◽

Yongge Wei ◽

...

Keyword(s):

Atpase Activity ◽

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Interaction ◽

In Vitro Assays ◽

Interaction Field ◽

Molecular Interaction Field

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IsoMIF Finder: online detection of binding site molecular interaction field similarities

Bioinformatics ◽

10.1093/bioinformatics/btv616 ◽

2015 ◽

Vol 32 (4) ◽

pp. 621-623 ◽

Cited By ~ 13

Author(s):

Matthieu Chartier ◽

Etienne Adriansen ◽

Rafael Najmanovich

Keyword(s):

Binding Site ◽

Molecular Interaction ◽

Online Detection ◽

Interaction Field ◽

Molecular Interaction Field

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Hologram quantitative structure–activity relationship and comparative molecular interaction field analysis of aminothiazole and thiazolesulfonamide as reversible LSD1 inhibitors

Future Medicinal Chemistry ◽

10.4155/fmc.15.68 ◽

2015 ◽

Vol 7 (11) ◽

pp. 1381-1394 ◽

Cited By ~ 4

Author(s):

Vinícius G Maltarollo ◽

Káthia M Honório ◽

Flavio S Emery ◽

Arasu Ganesan ◽

Gustavo HG Trossini

Keyword(s):

Molecular Interaction ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Activity Relationship ◽

Quantitative Structure ◽

Interaction Field ◽

Structure Activity ◽

Molecular Interaction Field

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Detection of Binding Site Molecular Interaction Field Similarities

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.5b00333 ◽

2015 ◽

Vol 55 (8) ◽

pp. 1600-1615 ◽

Cited By ~ 24

Author(s):

Matthieu Chartier ◽

Rafael Najmanovich

Keyword(s):

Binding Site ◽

Molecular Interaction ◽

Interaction Field ◽

Molecular Interaction Field

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Single-layer graphene doping through molecular interaction: field-effect transistor and atomic force microscopy investigations

Advanced Device Materials ◽

10.1179/2055031615y.0000000003 ◽

2015 ◽

Vol 1 (2) ◽

pp. 52-58 ◽

Cited By ~ 10

Author(s):

Dattatray J. Late

Keyword(s):

Field Effect Transistor ◽

Single Layer ◽

Single Layer Graphene ◽

Force Microscopy ◽

Layer Graphene ◽

Interaction Field ◽

Atomic Force ◽

Graphene Doping ◽

Molecular Interaction Field ◽

Effect Transistor

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Centmitor-1, a Novel Acridinyl-Acetohydrazide, Possesses Similar Molecular Interaction Field and Antimitotic Cellular Phenotype as Rigosertib, ON 01910.Na

Molecular Cancer Therapeutics ◽

10.1158/1535-7163.mct-13-0685 ◽

2014 ◽

Vol 13 (5) ◽

pp. 1054-1066 ◽

Cited By ~ 5

Author(s):

Jenni H.E. Mäki-Jouppila ◽

Leena J. Laine ◽

Jonathan Rehnberg ◽

Elli Narvi ◽

Pekka Tiikkainen ◽

...

Keyword(s):

Molecular Interaction ◽

Cellular Phenotype ◽

Interaction Field ◽

Molecular Interaction Field

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Digital Filters for Molecular Interaction Field Descriptors

Molecular Informatics ◽

10.1002/minf.201000181 ◽

2012 ◽

Vol 31 (1) ◽

pp. 75-84 ◽

Cited By ~ 9

Author(s):

Euzébio Guimarães Barbosa ◽

Márcia Miguel Castro Ferreira

Keyword(s):

Molecular Interaction ◽

Digital Filters ◽

Interaction Field ◽

Molecular Interaction Field

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Quantum molecular interaction field models of substrate enantioselection in asymmetric processes☆

Journal of Molecular Catalysis A Chemical ◽

10.1016/j.molcata.2010.03.030 ◽

2010 ◽

Vol 324 (1-2) ◽

pp. 141-145 ◽

Cited By ~ 12

Author(s):

Marisa C. Kozlowski ◽

James C. Ianni

Keyword(s):

Molecular Interaction ◽

Interaction Field ◽

Molecular Interaction Field

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Quantitative structure-retention relationship for polychlorinated dibenzofurans based on molecular interaction field analysis

Science Bulletin ◽

10.1007/s11434-009-0552-1 ◽

2009 ◽

Vol 54 (24) ◽

pp. 4644-4650

Author(s):

JinSong Zhao ◽

ShuXia Yu

Keyword(s):

Molecular Interaction ◽

Field Analysis ◽

Polychlorinated Dibenzofurans ◽

Quantitative Structure ◽

Interaction Field ◽

Molecular Interaction Field ◽

Structure Retention ◽

Quantitative Structure Retention Relationship

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molecular interaction field
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H-INDEX

A molecular interaction field describing nonconventional intermolecular interactions and its application to protein–ligand interaction prediction

Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays

IsoMIF Finder: online detection of binding site molecular interaction field similarities

Hologram quantitative structure–activity relationship and comparative molecular interaction field analysis of aminothiazole and thiazolesulfonamide as reversible LSD1 inhibitors

Detection of Binding Site Molecular Interaction Field Similarities

Single-layer graphene doping through molecular interaction: field-effect transistor and atomic force microscopy investigations

Centmitor-1, a Novel Acridinyl-Acetohydrazide, Possesses Similar Molecular Interaction Field and Antimitotic Cellular Phenotype as Rigosertib, ON 01910.Na

Digital Filters for Molecular Interaction Field Descriptors

Quantum molecular interaction field models of substrate enantioselection in asymmetric processes☆

Quantitative structure-retention relationship for polychlorinated dibenzofurans based on molecular interaction field analysis

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molecular interaction fieldRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

A molecular interaction field describing nonconventional intermolecular interactions and its application to protein–ligand interaction prediction

Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays

IsoMIF Finder: online detection of binding site molecular interaction field similarities

Hologram quantitative structure–activity relationship and comparative molecular interaction field analysis of aminothiazole and thiazolesulfonamide as reversible LSD1 inhibitors

Detection of Binding Site Molecular Interaction Field Similarities

Single-layer graphene doping through molecular interaction: field-effect transistor and atomic force microscopy investigations

Centmitor-1, a Novel Acridinyl-Acetohydrazide, Possesses Similar Molecular Interaction Field and Antimitotic Cellular Phenotype as Rigosertib, ON 01910.Na

Digital Filters for Molecular Interaction Field Descriptors

Quantum molecular interaction field models of substrate enantioselection in asymmetric processes☆

Quantitative structure-retention relationship for polychlorinated dibenzofurans based on molecular interaction field analysis

molecular interaction field
Recently Published Documents