Molecular dynamics simulation of sperm whale myoglobin: effects of mutations and trapped CO on the structure and dynamics of cavities.
about
Blocking the Gate to Ligand Entry in Human HemoglobinMolecular dynamics simulation of deoxy and carboxy murine neuroglobin in water.Myoglobin strikes back.Imaging the migration pathways for O2, CO, NO, and Xe inside myoglobin.Atomic level computational identification of ligand migration pathways between solvent and binding site in myoglobin.Determination of ligand pathways in globins: apolar tunnels versus polar gates.Hydrophobic effect drives oxygen uptake in myoglobin via histidine E7Internal water and microsecond dynamics in myoglobinCO migration pathways in cytochrome P450cam studied by molecular dynamics simulations.Design of an infrared laser pulse to control the multiphoton dissociation of the Fe-CO bond in CO-heme compounds.Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations.How do heme-protein sensors exclude oxygen? Lessons learned from cytochrome c', Nostoc puntiforme heme nitric oxide/oxygen-binding domain, and soluble guanylyl cyclase.Water and ligand entry in myoglobin: assessing the speed and extent of heme pocket hydration after CO photodissociation.Sulfide-binding hemoglobins: Effects of mutations on active-site flexibility.Molecular dynamics study of naturally existing cavity couplings in proteins.O2 migration pathways are not conserved across proteins of a similar fold.Molecular dynamics simulations of hemoglobin A in different states and bound to DPG: effector-linked perturbation of tertiary conformations and HbA concerted dynamicsModeling heme proteins using atomistic simulations.A computational study of water and CO migration sites and channels inside myoglobin.Effects of active site mutations in haemoglobin I from Lucina pectinata: a molecular dynamic study.Structural assignment of spectra by characterization of conformational substates in bound MbCO.The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations.An atomistic view on human hemoglobin carbon monoxide migration processes.Quantitative delineation of how breathing motions open ligand migration channels in myoglobin and its mutants.Theoretical characterization of carbon monoxide vibrational spectrum in sperm whale myoglobin distal pocket.Heme orientation modulates histidine dissociation and ligand binding kinetics in the hexacoordinated human neuroglobin.On the role of thermal backbone fluctuations in myoglobin ligand gate dynamics.Effects of distal mutation on the dynamic properties of carboxycytoglobin: a molecular dynamics simulation study.Ultrafast Structural Fluctuations of Myoglobin-Bound Thiocyanate and Selenocyanate Ions Measured with Two-Dimensional Infrared Photon Echo Spectroscopy.
P2860
Q27666414-4F8D0367-7CA1-4172-AC7D-CA1C9B0FF532Q30361353-DD1E5619-DCB9-4925-9684-30EB921A01F2Q30383080-B49EC408-C677-46A0-8966-F39868B32E5EQ30477827-3DB6E7C0-1309-415B-9C2A-32FAEED9E74AQ30482677-DA32D981-3D22-4AFC-9B1F-76D994A0C711Q30525332-D3DECE82-C8FA-412A-9424-D9390973D66CQ30536931-F2FEC083-B551-4050-A77F-5B33100171ACQ30574665-DA3738C0-5696-4EEC-8951-4E4600C0BF44Q33280757-BEE399EC-8DD4-4A2A-9801-8D21743114FEQ33739575-6EC616DB-8379-45F0-AD5D-37F31DC581D6Q33901963-69A4BA19-D737-4164-9EA4-F4FA456F865DQ34166721-6C1BC50D-685F-4A3B-9783-F9EBA2BEB632Q34334871-111424C1-DD67-49A5-867C-9C15603B1341Q34984677-48696F48-D4DF-4FB3-96D9-1CAEFF11109AQ35588863-839C045A-D0C2-4E35-A7A5-79F239962420Q36129090-29581926-B5B0-44D4-AF88-B5295B97D0ABQ36494755-B439120C-8F07-4CC4-B8E6-9CBB70314F68Q36675200-94870069-8458-4267-BADC-A7FA41B7CC58Q36682347-D4BDCC06-3EC1-4507-AA0F-F180D3FB8ECBQ37131627-B02F9702-29BC-4599-9D20-D30515E8B74AQ37263658-C8981158-EB6E-4275-8719-5E788CCF87BDQ40799403-9BF54AF9-22CC-4719-A9FF-C079E3197B58Q41384613-DC4F566B-C037-45A6-9674-B13129A93BD5Q41489269-7F3BA605-651F-4847-943B-5E8AAE41767CQ41790694-B8737BD8-0C84-4693-8D57-B788F7C47A62Q42003135-D5C4E233-283B-4AD6-B444-3A63CEAC815BQ42598463-A4690316-8C79-4533-91E5-7D22CB7AD71CQ43911614-5E889BC9-E443-4EB1-8CDE-222CF417F7A6Q48135009-AB767594-F17A-4536-9FED-DB5192CCF704
P2860
Molecular dynamics simulation of sperm whale myoglobin: effects of mutations and trapped CO on the structure and dynamics of cavities.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
2005年论文
@zh
2005年论文
@zh-cn
name
Molecular dynamics simulation ...... ture and dynamics of cavities.
@en
Molecular dynamics simulation ...... ture and dynamics of cavities.
@nl
type
label
Molecular dynamics simulation ...... ture and dynamics of cavities.
@en
Molecular dynamics simulation ...... ture and dynamics of cavities.
@nl
prefLabel
Molecular dynamics simulation ...... ture and dynamics of cavities.
@en
Molecular dynamics simulation ...... ture and dynamics of cavities.
@nl
P2860
P50
P1433
P1476
Molecular dynamics simulation ...... ture and dynamics of cavities.
@en
P2093
Alfredo Di Nola
P2860
P304
P356
10.1529/BIOPHYSJ.104.055020
P407
P577
2005-04-22T00:00:00Z