Testing inhomogeneous solvation theory in structure-based ligand discovery.

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Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories.

P2860

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P2860

Testing inhomogeneous solvation theory in structure-based ligand discovery.

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2017 nî lūn-bûn

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Testing inhomogeneous solvation theory in structure-based ligand discovery.

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Testing inhomogeneous solvation theory in structure-based ligand discovery.

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Testing inhomogeneous solvation theory in structure-based ligand discovery.

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P1476

Testing inhomogeneous solvation theory in structure-based ligand discovery.

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P2093

Anthony Cruz

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Brian K Shoichet

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Crystal N Nguyen

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Michael K Gilson

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Reed M Stein

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Thomas B Adler

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Tom Kurtzman

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Ligand pose and orientational sampling in molecular docking

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E6839-E6846

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P31

scholarly article

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10.1073/PNAS.1703287114

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P407

English

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P478

114

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Trent E Balius

Marcus Fischer

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2017-07-31T00:00:00Z

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28760952

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P932

5565424

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Testing inhomogeneous solvation theory in structure-based ligand discovery.

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P2860

P2860

Testing inhomogeneous solvation theory in structure-based ligand discovery.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P932