ligand alignment Latest Research Papers

X-ray Crystallographic Structures as a Source of Ligand Alignment in 3D-QSAR

Journal of Chemical Information and Modeling ◽

10.1021/ci400004e ◽

2013 ◽

Vol 53 (6) ◽

pp. 1406-1414 ◽

Cited By ~ 12

Author(s):

Rafał D. Urniaż ◽

Krzysztof Jóźwiak

Keyword(s):

3D Qsar ◽

X Ray ◽

Crystallographic Structures ◽

Ligand Alignment

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Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring

Journal of Chemical Information and Modeling ◽

10.1021/ci2002704 ◽

2011 ◽

Vol 51 (10) ◽

pp. 2455-2466 ◽

Cited By ~ 121

Author(s):

G. Madhavi Sastry ◽

Steven L. Dixon ◽

Woody Sherman

Keyword(s):

Virtual Screening ◽

Screening Method ◽

Feature Pair ◽

Ligand Alignment

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Open3DALIGN: an open-source software aimed at unsupervised ligand alignment

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-011-9462-9 ◽

2011 ◽

Vol 25 (8) ◽

pp. 777-783 ◽

Cited By ~ 67

Author(s):

Paolo Tosco ◽

Thomas Balle ◽

Fereshteh Shiri

Keyword(s):

Open Source ◽

Open Source Software ◽

Ligand Alignment

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pharmACOphore: Multiple Flexible Ligand Alignment Based on Ant Colony Optimization

Journal of Chemical Information and Modeling ◽

10.1021/ci1000218 ◽

2010 ◽

Vol 50 (9) ◽

pp. 1669-1681 ◽

Cited By ~ 33

Author(s):

Oliver Korb ◽

Peter Monecke ◽

Gerhard Hessler ◽

Thomas Stützle ◽

Thomas E. Exner

Keyword(s):

Ant Colony Optimization ◽

Ant Colony ◽

Flexible Ligand ◽

Ligand Alignment

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pharmACOphore: multiple flexible ligand alignment based on ant colony optimization

Journal of Cheminformatics ◽

10.1186/1758-2946-2-s1-p17 ◽

2010 ◽

Vol 2 (S1) ◽

Cited By ~ 2

Author(s):

Gerhard Hessler ◽

Oliver Korb ◽

P Monecke ◽

T Stützle ◽

TE Exner

Keyword(s):

Ant Colony Optimization ◽

Ant Colony ◽

Flexible Ligand ◽

Ligand Alignment

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Multi-Dimensional QSAR in Drug Discovery: Probing Ligand Alignment and Induced Fit - Application to GPCRs and Nuclear Receptors

Current Computer - Aided Drug Design ◽

10.2174/1573409054367673 ◽

2005 ◽

Vol 1 (3) ◽

pp. 307-324 ◽

Cited By ~ 3

Author(s):

Markus Lill ◽

Max Dobler ◽

Angelo Vedani

Keyword(s):

Drug Discovery ◽

Nuclear Receptors ◽

Induced Fit ◽

Ligand Alignment

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ProPose: Steered Virtual Screening by Simultaneous Protein—Ligand Docking and Ligand—Ligand Alignment.

ChemInform ◽

10.1002/chin.200522232 ◽

2005 ◽

Vol 36 (22) ◽

Author(s):

Markus H. J. Seifert

Keyword(s):

Virtual Screening ◽

Ligand Docking ◽

Ligand Alignment

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ProPose: Steered Virtual Screening by Simultaneous Protein−Ligand Docking and Ligand−Ligand Alignment

Journal of Chemical Information and Modeling ◽

10.1021/ci0496393 ◽

2005 ◽

Vol 45 (2) ◽

pp. 449-460 ◽

Cited By ~ 22

Author(s):

Markus H. J. Seifert

Keyword(s):

Virtual Screening ◽

Ligand Docking ◽

Ligand Alignment

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Multi-conformational Ligand Representation in 4D-QSAR: Reducing the Bias Associated with Ligand Alignment

Quantitative Structure-Activity Relationships ◽

10.1002/1521-3838(200004)19:2<149::aid-qsar149>3.0.co;2-9 ◽

2000 ◽

Vol 19 (2) ◽

pp. 149-161 ◽

Cited By ~ 14

Author(s):

Angelo Vedani ◽

Daniel R. McMasters ◽

Max Dobler

Keyword(s):

Ligand Alignment

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PrGen: Pseudoreceptor Modeling Using Receptor-mediated Ligand Alignment and Pharmacophore Equilibration

Quantitative Structure-Activity Relationships ◽

10.1002/(sici)1521-3838(199804)17:02<122::aid-qsar122>3.3.co;2-c ◽

1998 ◽

Vol 17 (02) ◽

pp. 122-130 ◽

Cited By ~ 33

Author(s):

Peter Zbinden ◽

Max Dobler ◽

Gerd Folkers ◽

Angelo Vedani

Keyword(s):

Ligand Alignment

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ligand alignment
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

X-ray Crystallographic Structures as a Source of Ligand Alignment in 3D-QSAR

Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring

Open3DALIGN: an open-source software aimed at unsupervised ligand alignment

pharmACOphore: Multiple Flexible Ligand Alignment Based on Ant Colony Optimization

pharmACOphore: multiple flexible ligand alignment based on ant colony optimization

Multi-Dimensional QSAR in Drug Discovery: Probing Ligand Alignment and Induced Fit - Application to GPCRs and Nuclear Receptors

ProPose: Steered Virtual Screening by Simultaneous Protein—Ligand Docking and Ligand—Ligand Alignment.

ProPose: Steered Virtual Screening by Simultaneous Protein−Ligand Docking and Ligand−Ligand Alignment

Multi-conformational Ligand Representation in 4D-QSAR: Reducing the Bias Associated with Ligand Alignment

PrGen: Pseudoreceptor Modeling Using Receptor-mediated Ligand Alignment and Pharmacophore Equilibration

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ligand alignmentRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

X-ray Crystallographic Structures as a Source of Ligand Alignment in 3D-QSAR

Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring

Open3DALIGN: an open-source software aimed at unsupervised ligand alignment

pharmACOphore: Multiple Flexible Ligand Alignment Based on Ant Colony Optimization

pharmACOphore: multiple flexible ligand alignment based on ant colony optimization

Multi-Dimensional QSAR in Drug Discovery: Probing Ligand Alignment and Induced Fit - Application to GPCRs and Nuclear Receptors

ProPose: Steered Virtual Screening by Simultaneous Protein—Ligand Docking and Ligand—Ligand Alignment.

ProPose: Steered Virtual Screening by Simultaneous Protein−Ligand Docking and Ligand−Ligand Alignment

Multi-conformational Ligand Representation in 4D-QSAR: Reducing the Bias Associated with Ligand Alignment

PrGen: Pseudoreceptor Modeling Using Receptor-mediated Ligand Alignment and Pharmacophore Equilibration

ligand alignment
Recently Published Documents