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Data-Driven High-Throughput Prediction of the 3-D Structure of Small Molecules: Review and Progress

https://doi.org/10.1021/ci100223t
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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The Amber biomolecular simulation programs
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CHARMM : A program for macromolecular energy, minimization, and dynamics calculations
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AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
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SMILES. 3. DEPICT. Graphical depiction of chemical structures
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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The Blue Obelisk—Interoperability in Chemical Informatics
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Lossless Compression of Chemical Fingerprints Using Integer Entropy Codes Improves Storage and Retrieval
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Covalent radii revisited
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ChemDB: a public database of small molecules and related chemoinformatics resources
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ChemDB update—full-text search and virtual chemical space
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The Protein Data Bank
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The Cambridge Structural Database: a quarter of a million crystal structures and rising
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The organometallic chemistry of the transition metals
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An introduction to chemoinformatics

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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