(Q34588100)

3 August 2017

Development and validation of a modular, extensible docking program: DOCK 5. (English)

1 reference

3 August 2017

Demetri T Moustakas

1

1 reference

3 August 2017

P Therese Lang

2

1 reference

3 August 2017

Scott Pegg

3

1 reference

3 August 2017

Eric Pettersen

4

1 reference

3 August 2017

Irwin D Kuntz

5

1 reference

3 August 2017

Natasja Brooijmans

6

1 reference

3 August 2017

Robert C Rizzo

7

1 reference

3 August 2017

1 October 2006

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Journal of Computer - Aided Molecular Design

3 August 2017

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3 August 2017

20

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3 August 2017

601-619

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3 August 2017

10-11

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https://scigraph.springernature.com/pub.10.1007/s10822-006-9060-4

3 August 2017

0 references

cites work

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12 December 2020

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

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12 December 2020

The Protein Data Bank

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12 December 2020

EUDOC: a computer program for identification of drug interaction sites in macromolecules and drug leads from chemical databases

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12 December 2020

Assessment of the role of computations in structural biology

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12 December 2020

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

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12 December 2020

ZINC--a free database of commercially available compounds for virtual screening

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12 December 2020

Development and validation of a genetic algorithm for flexible docking

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12 December 2020

UCSF Chimera--a visualization system for exploratory research and analysis

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12 December 2020

A geometric approach to macromolecule-ligand interactions

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12 December 2020

Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure.

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12 December 2020

Areas, volumes, packing and protein structure

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12 December 2020

Three-dimensional hydrogen-bond geometry and probability information from a crystal survey

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12 December 2020

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.

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12 December 2020

Computational chemistry-driven decision making in lead generation

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12 December 2020

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

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12 December 2020

High-throughput screening-driven lead discovery: meeting the challenges of finding new therapeutics

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12 December 2020

Docking and scoring in virtual screening for drug discovery: methods and applications

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12 December 2020

Improved protein-ligand docking using GOLD

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12 December 2020

Target identification and validation in drug discovery: the role of proteomics

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12 December 2020

Deciphering common failures in molecular docking of ligand-protein complexes.

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12 December 2020

Structural biology and drug discovery

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12 December 2020

Orientational sampling and rigid-body minimization in molecular docking revisited: on-the-fly optimization and degeneracy removal

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12 December 2020

Pursuing the leadlikeness concept in pharmaceutical research.

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12 December 2020

Accelerating drug discovery.

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12 December 2020

Utility of homology models in the drug discovery process.

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12 December 2020

Current trends in lead discovery: are we looking for the appropriate properties?

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12 December 2020

Is there a difference between leads and drugs? A historical perspective

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12 December 2020

A new test set for validating predictions of protein-ligand interaction.

1 reference

12 December 2020

10.1007/S10822-006-9060-4

Identifiers

DOI

1 reference

journals/jcamd/MoustakasLPPKBR06

3 August 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference