Computing Relative Free Energies of Solvation using Single Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange
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Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A.Improved Binding Free Energy Predictions from Single-Reference Thermodynamic Integration Augmented with Hamiltonian Replica ExchangeSeparation of Betti Reaction Product Enantiomers: Absolute Configuration and Inhibition of Botulinum Neurotoxin ARecent theoretical and computational advances for modeling protein-ligand binding affinitiesHow Does Solvation Affect the Binding of Hydrophilic Amino Saccharides to Cucurbit[7]uril with Exceptional Anomeric Selectivity?
P2860
Computing Relative Free Energies of Solvation using Single Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange
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2010 nî lūn-bûn
@nan
2010 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Computing Relative Free Energi ...... h Hamiltonian Replica Exchange
@ast
Computing Relative Free Energi ...... h Hamiltonian Replica Exchange
@en
Computing Relative Free Energi ...... h Hamiltonian Replica Exchange
@nl
type
label
Computing Relative Free Energi ...... h Hamiltonian Replica Exchange
@ast
Computing Relative Free Energi ...... h Hamiltonian Replica Exchange
@en
Computing Relative Free Energi ...... h Hamiltonian Replica Exchange
@nl
prefLabel
Computing Relative Free Energi ...... h Hamiltonian Replica Exchange
@ast
Computing Relative Free Energi ...... h Hamiltonian Replica Exchange
@en
Computing Relative Free Energi ...... h Hamiltonian Replica Exchange
@nl
P2860
P356
P1476
Computing Relative Free Energi ...... h Hamiltonian Replica Exchange
@en
P2093
Ilja V Khavrutskii
P2860
P304
P356
10.1021/CT1003302
P577
2010-11-01T00:00:00Z