Optimized Potential of Mean Force Calculations for Standard Binding Free Energies.

scientific article published on 11 May 2011

Optimized Potential of Mean Force Calculations for Standard Binding Free Energies. is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1021/CT2000638
P698PubMed publication ID26596439

P50authorGianni de FabritiisQ57113854
S Kashif SadiqQ80129829
P2093author name stringIgnasi Buch
P433issue6
P304page(s)1765-1772
P577publication date2011-05-11
P1433published inJournal of Chemical Theory and ComputationQ1768377
P1476titleOptimized Potential of Mean Force Calculations for Standard Binding Free Energies
P478volume7

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cites work (P2860)
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Q90383206Application of the Movable Type Free Energy Method to the Caspase-Inhibitor BindingAffinity Study
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Q30362300Bringing Clarity to the Prediction of Protein-Ligand Binding Free Energies via "Blurring"
Q39556441Molecular dynamics simulations of acylpeptide hydrolase bound to chlorpyrifosmethyl oxon and dichlorvos
Q37311964Molecular mechanisms, thermodynamics, and dissociation kinetics of knob-hole interactions in fibrin.
Q43013072Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation
Q37232099Structural transitions and energy landscape for Cowpea Chlorotic Mottle Virus capsid mechanics from nanomanipulation in vitro and in silico
Q54495575Theoretical studies of HIV-1 reverse transcriptase inhibition.

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