QM/MM linear response method distinguishes ligand affinities for closely related metalloproteins.
about
Matrix metalloproteinase 2 inhibition: combined quantum mechanics and molecular mechanics studies of the inhibition mechanism of (4-phenoxyphenylsulfonyl)methylthiirane and its oxirane analogue.Matrix metalloproteinase 2 (MMP2) inhibition: DFT and QM/MM studies of the deprotonation-initialized ring-opening reaction of the sulfoxide analogue of SB-3CT.QM/MM Studies of the Matrix Metalloproteinase 2 (MMP2) Inhibition Mechanism of (S)-SB-3CT and its Oxirane Analogue.Rigorous incorporation of tautomers, ionization species, and different binding modes into ligand-based and receptor-based 3D-QSAR methods.Rigorous treatment of multispecies multimode ligand-receptor interactions in 3D-QSAR: CoMFA analysis of thyroxine analogs binding to transthyretin.Quantitative three dimensional structure linear interaction energy model of 5'-O-[N-(salicyl)sulfamoyl]adenosine and the aryl acid adenylating enzyme MbtA.Binding affinity prediction for ligands and receptors forming tautomers and ionization species: inhibition of mitogen-activated protein kinase-activated protein kinase 2 (MK2).
P2860
Q33638905-AB5DD204-6E2B-4F4E-B9AF-CD4FC6D5A9FFQ33652126-49F7A349-413F-4B48-ABE7-43CE8F8498C4Q34289671-5247F6F5-BA72-49F6-B0BF-E6AEC5908274Q38061451-B6682D7F-7265-4FE8-A886-B814AEAA15F8Q39354569-F0CF9AB8-B935-460E-81E5-BDDB5F18D8F7Q40523880-01129E53-F51C-4335-AE7B-34AD672F3296Q42562670-04547569-0BA1-4BF8-B714-B241B17EA6E6
P2860
QM/MM linear response method distinguishes ligand affinities for closely related metalloproteins.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
QM/MM linear response method d ...... osely related metalloproteins.
@en
QM/MM linear response method d ...... osely related metalloproteins.
@nl
type
label
QM/MM linear response method d ...... osely related metalloproteins.
@en
QM/MM linear response method d ...... osely related metalloproteins.
@nl
prefLabel
QM/MM linear response method d ...... osely related metalloproteins.
@en
QM/MM linear response method d ...... osely related metalloproteins.
@nl
P2860
P356
P1433
P1476
QM/MM linear response method d ...... osely related metalloproteins.
@en
P2093
Akash Khandelwal
P2860
P304
P356
10.1002/PROT.21500
P407
P50
P577
2007-11-01T00:00:00Z