Quantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction.

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Exploring the nature of the H-bonds between the human class II MHC protein, HLA-DR1 (DRB*0101) and the influenza virus hemagglutinin peptide, HA306-318, using the quantum theory of atoms in molecules.

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Q47288874-229160AB-8A43-4039-B5A8-24288B3E2E51

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Quantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction.

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article científic

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bilimsel makale

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scientific article published on 29 April 2016

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vedecký článok

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Quantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction.

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Quantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction.

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Quantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction.

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P1476

Quantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction

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P2093

Haruki Nakamura

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Isao Yasumatsu

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Satoshi Yamasaki

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Takashi Kurosawa

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P2860

Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

ChEMBL: a large-scale bioactivity database for drug discovery

Pathway analysis for drug repositioning based on public database mining

PubChem: a public information system for analyzing bioactivities of small molecules

Development and testing of a general amber force field

Comprehensive analysis of kinase inhibitor selectivity

Toward a benchmarking data set able to evaluate ligand- and structure-based virtual screening using public HTS data.

Data Quality in the Human and Environmental Health Sciences: Using Statistical Confidence Scoring to Improve QSAR/QSPR Modeling.

Improved Chemical Structure-Activity Modeling Through Data Augmentation.

Classification of chemical compounds by protein-compound docking for use in designing a focused library.

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scholarly article

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10.1002/MINF.201600013

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1-2

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P478

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

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Yoshifumi Fukunishi

Koh Takeuchi

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2016-04-29T00:00:00Z

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P698

28001004

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P932

5297997

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Quantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction.

about

P2860

P2860

Quantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction.

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type

label

prefLabel

P1433

P1476

P2093

P2860

P31

P356

P433

P478

P50

P577

P698

P932

P356

P1433

P1476

P2093

P2860

P31

P356

P433

P478

P50

P577

P698

P932