Enhanced docking with the mining minima optimizer: acceleration and side-chain flexibility.

Enhanced docking with the mining minima optimizer: acceleration and side-chain flexibility.

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http://www.wikidata.org/entity/Q44190842
Protein flexibility in docking and surface mappingMolecular docking screens using comparative models of proteinsRapid flexible docking using a stochastic rotamer library of ligandsCalculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design.Saccharin sulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.New ultrahigh affinity host-guest complexes of cucurbit[7]uril with bicyclo[2.2.2]octane and adamantane guests: thermodynamic analysis and evaluation of M2 affinity calculationsEfficient incorporation of protein flexibility and dynamics into molecular docking simulationsSolvent interaction energy calculations on molecular dynamics trajectories: increasing the efficiency using systematic frame selection.Ligand configurational entropy and protein binding.Dynamics of the acetylcholinesterase tetramer.On the Role of Dewetting Transitions in Host-Guest Binding Free Energy Calculations.Host-guest complexes with protein-ligand-like affinities: computational analysis and designEffects of protein conformation in docking: improved pose prediction through protein pocket adaptation.Molecular basis for potentiation of Cx36 gap junction channel conductance by n-alcohols and general anesthetics.Insight into the role of N,N-dimethylaminoethyl methacrylate (DMAEMA) conjugation onto poly(ethylenimine): cell viability and gene transfection studies.Modeling loop backbone flexibility in receptor-ligand docking simulations.
P2860

Enhanced docking with the mining minima optimizer: acceleration and side-chain flexibility.

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http://www.wikidata.org/entity/Q44190842
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2002 nî lūn-bûn
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2002年の論文
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2002年学术文章
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Enhanced docking with the mini ...... on and side-chain flexibility.
@en
Enhanced docking with the mini ...... on and side-chain flexibility.
@nl
type
label
Enhanced docking with the mini ...... on and side-chain flexibility.
@en
Enhanced docking with the mini ...... on and side-chain flexibility.
@nl
prefLabel
Enhanced docking with the mini ...... on and side-chain flexibility.
@en
Enhanced docking with the mini ...... on and side-chain flexibility.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Enhanced docking with the mini ...... on and side-chain flexibility.
@en
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698