Virtual Screening: An Alternative or Complement to High Throughput Screening?
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Generating consistent sets of thermodynamic and structural data for analysis of protein-ligand interactions

Virtual Screening: An Alternative or Complement to High Throughput Screening? ◽

10.1007/0-306-46883-2_3 ◽

2005 ◽

pp. 29-42

Author(s):

Thomas G. Davies ◽

Jeremy R.H. Tame ◽

Roderick E. Hubbard

Keyword(s):

Structural Data ◽

Protein Ligand Interactions ◽

Ligand Interactions

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Computer-assisted synthesis and reaction planning in combinatorial chemistry

Virtual Screening: An Alternative or Complement to High Throughput Screening? ◽

10.1007/0-306-46883-2_14 ◽

2005 ◽

pp. 245-264

Author(s):

Johann Gasteiger ◽

Matthias Pförtner ◽

Markus Sitzmann ◽

Robert Höllering ◽

Oliver Sacher ◽

...

Keyword(s):

Combinatorial Chemistry ◽

Computer Assisted

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Similarity versus docking in 3D virtual screening

Virtual Screening: An Alternative or Complement to High Throughput Screening? ◽

10.1007/0-306-46883-2_11 ◽

2005 ◽

pp. 191-207

Author(s):

Jordi Mestres ◽

Ronald M.A. Knegtel

Keyword(s):

Virtual Screening

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A recursive algorithm for efficient combinatorial library docking

Virtual Screening: An Alternative or Complement to High Throughput Screening? ◽

10.1007/0-306-46883-2_5 ◽

2005 ◽

pp. 63-81

Author(s):

Matthias Rarey ◽

Thomas Lengauer

Keyword(s):

Combinatorial Library ◽

Recursive Algorithm

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A knowledge-based scoring function for protein-ligand interactions: Probing the reference state

Virtual Screening: An Alternative or Complement to High Throughput Screening? ◽

10.1007/0-306-46883-2_7 ◽

2005 ◽

pp. 99-114 ◽

Author(s):

Ingo Muegge

Keyword(s):

Scoring Function ◽

Reference State ◽

Knowledge Based ◽

Protein Ligand Interactions ◽

Ligand Interactions

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Discovering high-affinity ligands from the computationally predicted structures and affinities of small molecules bound to a target: A virtual screening approach

Virtual Screening: An Alternative or Complement to High Throughput Screening? ◽

10.1007/0-306-46883-2_12 ◽

2005 ◽

pp. 209-230

Author(s):

Tami J. Marrone ◽

Brock A. Luty ◽

Peter W. Rose

Keyword(s):

Virtual Screening ◽

Small Molecules ◽

Affinity Ligands ◽

High Affinity ◽

Screening Approach ◽

Virtual Screening Approach

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Predicting binding modes, binding affinities and ‘hot spots’ for protein-ligand complexes using a knowledge-based scoring function

Virtual Screening: An Alternative or Complement to High Throughput Screening? ◽

10.1007/0-306-46883-2_8 ◽

2005 ◽

pp. 115-144 ◽

Author(s):

Holger Gohlke ◽

Manfred Hendlich ◽

Gerhard Klebe

Keyword(s):

Hot Spots ◽

Scoring Function ◽

Binding Affinities ◽

Binding Modes ◽

Knowledge Based

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Multiple molecular superpositioning as an effective tool for virtual database screening

Virtual Screening: An Alternative or Complement to High Throughput Screening? ◽

10.1007/0-306-46883-2_4 ◽

2005 ◽

pp. 43-62

Author(s):

Christian Lemmen ◽

Marc Zimmermann ◽

Thomas Lengauer

Keyword(s):

Virtual Database ◽

Database Screening

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Modifications of the scoring function in FlexX for virtual screening applications

Virtual Screening: An Alternative or Complement to High Throughput Screening? ◽

10.1007/0-306-46883-2_6 ◽

2005 ◽

pp. 83-98

Author(s):

Martin Stahl

Keyword(s):

Virtual Screening ◽

Scoring Function

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In vitro and in silico affinity fingerprints: Finding similarities beyond structural classes

Virtual Screening: An Alternative or Complement to High Throughput Screening? ◽

10.1007/0-306-46883-2_13 ◽

2005 ◽

pp. 231-244 ◽

Author(s):

Hans Briem ◽

Uta F. Lessel

Keyword(s):

In Silico ◽

Structural Classes

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