rmsd values Search Results


rmsd value  (AUTODOCK GmbH)
90
AUTODOCK GmbH rmsd value
Rmsd Value, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/rmsd+values/pmc01891665-124-0-0?v=AUTODOCK+GmbH
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autodock vina rmsd  (AUTODOCK GmbH)
90
AUTODOCK GmbH autodock vina rmsd
Autodock Vina Rmsd, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/rmsd+values/chem_rxiv__12044847-72-17-16?v=AUTODOCK+GmbH
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rmsd values  (DeLano Scientific)
90
DeLano Scientific rmsd values
Structure refinement and validation statistics Values are listed for the models refined at the starting and the optimal resolution in square brackets []. ΔR is the difference between R values relating to the model refined at the optimal and the starting resolution (both calculated at the starting resolution). SIM is a simulated data set generated by MLFSOM (Holton et al. , 2014 <xref ref-type= ▸ )." width="250" height="auto" />
Rmsd Values, supplied by DeLano Scientific, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/rmsd+values/pmc07340264-144-3-7?v=DeLano+Scientific
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rmsd values  (BioSolveIT GmbH)
90
BioSolveIT GmbH rmsd values
Structure refinement and validation statistics Values are listed for the models refined at the starting and the optimal resolution in square brackets []. ΔR is the difference between R values relating to the model refined at the optimal and the starting resolution (both calculated at the starting resolution). SIM is a simulated data set generated by MLFSOM (Holton et al. , 2014 <xref ref-type= ▸ )." width="250" height="auto" />
Rmsd Values, supplied by BioSolveIT GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/rmsd+values/pm26341387-59-7-17?v=BioSolveIT+GmbH
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ligand rmsd values  (Kaneka Corp)
86
Kaneka Corp ligand rmsd values
Structure refinement and validation statistics Values are listed for the models refined at the starting and the optimal resolution in square brackets []. ΔR is the difference between R values relating to the model refined at the optimal and the starting resolution (both calculated at the starting resolution). SIM is a simulated data set generated by MLFSOM (Holton et al. , 2014 <xref ref-type= ▸ )." width="250" height="auto" />
Ligand Rmsd Values, supplied by Kaneka Corp, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/rmsd+values/pm41828407-74-6-11?v=Kaneka+Corp
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rmsd values  (Molecular Dynamics Inc)
86
Molecular Dynamics Inc rmsd values
Structure refinement and validation statistics Values are listed for the models refined at the starting and the optimal resolution in square brackets []. ΔR is the difference between R values relating to the model refined at the optimal and the starting resolution (both calculated at the starting resolution). SIM is a simulated data set generated by MLFSOM (Holton et al. , 2014 <xref ref-type= ▸ )." width="250" height="auto" />
Rmsd Values, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/rmsd+values/pm21510634__bi102001m_si_001-44-19-2?v=Molecular+Dynamics+Inc
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Image Search Results


Structure refinement and validation statistics Values are listed for the models refined at the starting and the optimal resolution in square brackets []. ΔR is the difference between R values relating to the model refined at the optimal and the starting resolution (both calculated at the starting resolution). SIM is a simulated data set generated by MLFSOM (Holton et al. , 2014 <xref ref-type= ▸ )." width="100%" height="100%">

Journal: IUCrJ

Article Title: Paired refinement under the control of PAIREF

doi: 10.1107/S2052252520005916

Figure Lengend Snippet: Structure refinement and validation statistics Values are listed for the models refined at the starting and the optimal resolution in square brackets []. ΔR is the difference between R values relating to the model refined at the optimal and the starting resolution (both calculated at the starting resolution). SIM is a simulated data set generated by MLFSOM (Holton et al. , 2014 ▸ ).

Article Snippet: We monitored the root-mean-square deviation (RMSD) values (DeLano Scientific, 2017 ) calculated on all 1217 atoms of the simulated structure with respect to the original structure model [Fig. 2 ( c )].

Techniques: Biomarker Discovery, Generated

Results from paired refinement for SIM ( a )–( c ), TL ( d )–( f ) and CDO ( g )–( l ). Note for bar charts showing the differences in the overall R values: for each incremental step of resolution for X → Y , the R values were calculated at resolution X . SIM: ( a ) differences in the overall R values; resolution shells with a width of 0.10 Å were added stepwise. R free decreases up to 1.30 Å. ( b ) Comparison of CC* and CC work of refined models. ( c ) Both RMSDs of the coordinates and the ADPs (RMSD coordinates and RMSD ADP ) have a decreasing trend up to 1.3 Å resolution. TL: ( d ) differences in the overall R values; resolution shells with a width of 0.10 Å were added stepwise. ( e ) Comparison of CC* and CC work of the refined models. ( f ) R gap calculated using data up to 1.80 Å depending on the high-resolution cutoff; resolution shells with a width of 0.01 Å were added stepwise (a different PAIREF run, see the supporting information ). CDO: ( g ) differences in the overall R values; resolution shells with a width of 0.10 Å were added stepwise. ( h ) Comparison of CC* and CC free of the model refined at 1.42 Å, averaged over all of the 20 free sets. The standard error of the mean is shown in orange. ( i ) R gap calculated using data up to 2.00 Å depending on the high-resolution cutoff; resolution shells with a width of 0.01 Å were added stepwise (a different PAIREF run, see the supporting information ). ( j ) Differences in the overall R values averaged over all 20 free sets. The standard error of the mean is shown in orange. ( k ) and ( l ) Differences in the overall R values relating to all 20 free sets, refinements at 1.50 and 1.42 Å, respectively. The numbers with arrows in the legends indicate how many rises and falls were observed while using individual free reflection sets.

Journal: IUCrJ

Article Title: Paired refinement under the control of PAIREF

doi: 10.1107/S2052252520005916

Figure Lengend Snippet: Results from paired refinement for SIM ( a )–( c ), TL ( d )–( f ) and CDO ( g )–( l ). Note for bar charts showing the differences in the overall R values: for each incremental step of resolution for X → Y , the R values were calculated at resolution X . SIM: ( a ) differences in the overall R values; resolution shells with a width of 0.10 Å were added stepwise. R free decreases up to 1.30 Å. ( b ) Comparison of CC* and CC work of refined models. ( c ) Both RMSDs of the coordinates and the ADPs (RMSD coordinates and RMSD ADP ) have a decreasing trend up to 1.3 Å resolution. TL: ( d ) differences in the overall R values; resolution shells with a width of 0.10 Å were added stepwise. ( e ) Comparison of CC* and CC work of the refined models. ( f ) R gap calculated using data up to 1.80 Å depending on the high-resolution cutoff; resolution shells with a width of 0.01 Å were added stepwise (a different PAIREF run, see the supporting information ). CDO: ( g ) differences in the overall R values; resolution shells with a width of 0.10 Å were added stepwise. ( h ) Comparison of CC* and CC free of the model refined at 1.42 Å, averaged over all of the 20 free sets. The standard error of the mean is shown in orange. ( i ) R gap calculated using data up to 2.00 Å depending on the high-resolution cutoff; resolution shells with a width of 0.01 Å were added stepwise (a different PAIREF run, see the supporting information ). ( j ) Differences in the overall R values averaged over all 20 free sets. The standard error of the mean is shown in orange. ( k ) and ( l ) Differences in the overall R values relating to all 20 free sets, refinements at 1.50 and 1.42 Å, respectively. The numbers with arrows in the legends indicate how many rises and falls were observed while using individual free reflection sets.

Article Snippet: We monitored the root-mean-square deviation (RMSD) values (DeLano Scientific, 2017 ) calculated on all 1217 atoms of the simulated structure with respect to the original structure model [Fig. 2 ( c )].

Techniques: Comparison