Effect of pH and ligand charge state on BACE-1 fragment docking performance.

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VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening.Improvements, trends, and new ideas in molecular docking: 2012-2013 in review.

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P2860

Effect of pH and ligand charge state on BACE-1 fragment docking performance.

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Effect of pH and ligand charge state on BACE-1 fragment docking performance.

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Effect of pH and ligand charge state on BACE-1 fragment docking performance.

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Item

label

Effect of pH and ligand charge state on BACE-1 fragment docking performance.

@en

Effect of pH and ligand charge state on BACE-1 fragment docking performance.

@nl

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Effect of pH and ligand charge state on BACE-1 fragment docking performance.

@en

Effect of pH and ligand charge state on BACE-1 fragment docking performance.

@nl

P1476

Effect of pH and ligand charge state on BACE-1 fragment docking performance.

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P2093

Fredy Sussman

http://www.w3.org/2001/XMLSchema#string

José L Domínguez

http://www.w3.org/2001/XMLSchema#string

M Carmen Villaverde

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P2860

Application of fragment screening by X-ray crystallography to beta-secretase

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Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency

Tyramine fragment binding to BACE-1

Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing

Discovery of aminoheterocycles as a novel beta-secretase inhibitor class: pH dependence on binding activity part 1

Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors

Fragment-based discovery and optimization of BACE1 inhibitors

Development and validation of a genetic algorithm for flexible docking

Improved protein-ligand docking using GOLD

P2888

s10822-013-9653-7

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403-417

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scholarly article

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10.1007/S10822-013-9653-7

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P478

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2013-05-03T00:00:00Z

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236614477

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23640428

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Effect of pH and ligand charge state on BACE-1 fragment docking performance.

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P2860

P2860

Effect of pH and ligand charge state on BACE-1 fragment docking performance.

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type

label

prefLabel

P1433

P1476

P2093

P2860

P2888

P304

P31

P356

P433

P478

P577

P5875

P698

P356

P1433

P1476

P2093

P2860

P2888

P304

P31

P356

P433

P478

P577

P5875

P698