Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations.

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Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations.

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2017 nî lūn-bûn

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2017年学术文章

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Effect of sampling on BACE-1 l ...... ions via MM-PBSA calculations.

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Effect of sampling on BACE-1 l ...... ions via MM-PBSA calculations.

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Effect of sampling on BACE-1 l ...... ions via MM-PBSA calculations.

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Effect of sampling on BACE-1 l ...... ions via MM-PBSA calculations.

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Effect of sampling on BACE-1 l ...... ions via MM-PBSA calculations.

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Effect of sampling on BACE-1 l ...... ions via MM-PBSA calculations.

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P1476

Effect of sampling on BACE-1 l ...... ions via MM-PBSA calculations.

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P2093

Nicolas Chéron

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P2860

Beta-secretase cleavage of Alzheimer's amyloid precursor protein by the transmembrane aspartic protease BACE

Comparison of simple potential functions for simulating liquid water

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor

Crystal structure of memapsin 2 (beta-secretase) in complex with an inhibitor OM00-3

Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands

2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead

Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor

Tyramine fragment binding to BACE-1

Synthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives

P304

1941-1951

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P31

scholarly article

P356

10.1002/JCC.24839

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

P433

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

P478

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

P50

Nicolas Chéron

Eugene I. Shakhnovich

P577

2017-06-01T00:00:00Z

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P698

28568844

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