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Pharmacophore‐based molecular docking to account for ligand flexibility

https://doi.org/10.1002/prot.10266
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What this work says

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

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Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Solution Structure of a Brodimoprim Analog in Its Complex with Lactobacillus casei Dihydrofolate Reductase
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Solution Structure of Bound Trimethoprim in Its Complex with Lactobacillus casei Dihydrofolate Reductase
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Negative cooperativity between folinic acid and coenzyme in their binding to L. casei dihydrofolate reductase
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Pro-1 of Macrophage Migration Inhibitory Factor Functions as a Catalytic Base in the Phenylpyruvate Tautomerase Activity,
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Is There a Difference between Leads and Drugs? A Historical Perspective
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2,4-Diamino-5-deaza-6-Substituted Pyrido[2,3-d]pyrimidine Antifolates as Potent and Selective Nonclassical Inhibitors of Dihydrofolate Reductases
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All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
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QXP: Powerful, rapid computer algorithms for structure-based drug design
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Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitors
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DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
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Simulation of activation free energies in molecular systems
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Properties of Brodimoprim as an Inhibitor of Dihydrofolate Reductases

What points at this work

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

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