Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors.
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Can Relative Binding Free Energy Predict Selectivity of Reversible Covalent Inhibitors?D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.Computational Support of Medicinal Chemistry in Industrial Settings.In silico ligand-based modeling of hBACE-1 inhibitors.Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs.Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of D-amino acid oxidase inhibitors.Relative binding affinity prediction of farnesoid X receptor in the D3R Grand Challenge 2 using FEP.Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation.Tuning the Optical Properties of Phenanthriplatin: Towards New Photoactivatable Analogues
P2860
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P2860
Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors.
description
2017 nî lūn-bûn
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2017年の論文
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2017年学术文章
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2017年学术文章
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@zh-hans
2017年学术文章
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2017年學術文章
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name
Prospective Evaluation of Free ...... ion of Cathepsin L Inhibitors.
@en
Prospective Evaluation of Free ...... ion of Cathepsin L Inhibitors.
@nl
type
label
Prospective Evaluation of Free ...... ion of Cathepsin L Inhibitors.
@en
Prospective Evaluation of Free ...... ion of Cathepsin L Inhibitors.
@nl
prefLabel
Prospective Evaluation of Free ...... ion of Cathepsin L Inhibitors.
@en
Prospective Evaluation of Free ...... ion of Cathepsin L Inhibitors.
@nl
P2093
P50
P1476
Prospective Evaluation of Free ...... tion of Cathepsin L Inhibitors
@en
P2093
Andreas Kuglstatter
Bernd Kuhn
François Diederich
Maude Giroud
Robert Abel
Shaughnessy Robinson
P304
P356
10.1021/ACS.JMEDCHEM.6B01881
P407
P577
2017-03-13T00:00:00Z