SAMPL4 & DOCK3.7: lessons for automated docking procedures.
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Blind prediction of HIV integrase binding from the SAMPL4 challengeThe SAMPL4 host-guest blind prediction challenge: an overview.Towards a critical evaluation of an empirical and volume-based solvation function for ligand docking.BEDAM binding free energy predictions for the SAMPL4 octa-acid host challenge.Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations.Review structure- and dynamics-based computational design of anticancer drugs.Bayesian Model Averaging for Ensemble-Based Estimates of Solvation-Free Energies.Structure-inspired design of β-arrestin-biased ligands for aminergic GPCRs.
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SAMPL4 & DOCK3.7: lessons for automated docking procedures.
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article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on 11 February 2014
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
@en
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
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type
label
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
@en
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
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prefLabel
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
@en
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
@nl
P2860
P1476
SAMPL4 & DOCK3.7: lessons for automated docking procedures.
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P2093
Ryan G Coleman
Teague Sterling
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P2888
P304
P356
10.1007/S10822-014-9722-6
P577
2014-02-11T00:00:00Z