Physics-based enzyme design: predicting binding affinity and catalytic activity

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Physics-based enzyme design: predicting binding affinity and catalytic activity is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1002/PROT.24694
P698PubMed publication ID25243583

P50authorDavid PearlmanQ84842171
Sarah SirinQ85353938
P2093author name stringWoody Sherman
P2860cites workComputational redesign of endonuclease DNA binding and cleavage specificityQ24569661
Kemp elimination catalysts by computational enzyme designQ27650119
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 seriesQ27658780
Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder ReactionQ27663580
Computational design of ligand-binding proteins with high affinity and selectivityQ27679871
Community-wide assessment of protein-interface modeling suggests improvements to design methodologyQ30408207
Evolving strategies for enzyme engineeringQ36188225
Catalytic mechanism and performance of computationally designed enzymes for Kemp eliminationQ37187139
Computational enzyme designQ38092809
Evaluation and ranking of enzyme designsQ42045610
P433issue12
P407language of work or nameEnglishQ1860
P304page(s)3397-3409
P577publication date2014-10-30
P1433published inProteinsQ7251514
P1476titlePhysics-based enzyme design: predicting binding affinity and catalytic activity
P478volume82

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cites work (P2860)
Q36358096Chemical basis for the recognition of trimethyllysine by epigenetic reader proteins.
Q50884815Computational design of enzyme-ligand binding using a combined energy function and deterministic sequence optimization algorithm
Q48147518Effects of Distal Mutations on the Structure, Dynamics and Catalysis of Human Monoacylglycerol Lipase
Q95820749Mechanistic Insights into Zika Virus NS3 Helicase Inhibition by Epigallocatechin-3-Gallate
Q43849764Molecular dynamic simulations reveal suboptimal binding of salbutamol in T164I variant of β2 adrenergic receptor.
Q92999174Rapid Evolution of Reduced Susceptibility against a Balanced Dual-Targeting Antibiotic through Stepping-Stone Mutations
Q56891246Simultaneous engineering of an enzyme's entrance tunnel and active site: the case of monoamine oxidase MAO-N
Q48120921β-Sitosterol targets Trx/Trx1 reductase to induce apoptosis in A549 cells via ROS mediated mitochondrial dysregulation and p53 activation.

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