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PubPharm (534)
1
A Method to Derive Structural Information on Molecules from Residual Dipolar Coupling NMR Data
enthalten in:
The journal of physical chemistry. B
| 2022
von
van Gunsteren, W.
|
Pechlaner, M.
|
Smith, L.
| +2
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2
Molecular dynamics simulation or structure refinement of proteins : are solvent molecules required? A case study using hen lysozyme
enthalten in:
European biophysics journal : EBJ
| 2022
von
Pechlaner, M.
|
van Gunsteren, W.
|
Hansen, N.
| +1
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3
Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? A case study using hen lysozyme
enthalten in:
European biophysics journal
| 2022
von
Pechlaner, M.
|
van Gunsteren, W.
|
Hansen, N.
| +1
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4
Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? A case study using hen lysozyme
enthalten in:
European biophysics journal
| 2022
von
Pechlaner, M.
|
van Gunsteren, W.
|
Hansen, N.
| +1
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5
On the use of intra-molecular distance and angle constraints to lengthen the time step in molecular and stochastic dynamics simulations of proteins
enthalten in:
Proteins
| 2022
von
Pechlaner, M.
|
van Gunsteren, W.
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6
On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteins
enthalten in:
Journal of computational chemistry
| 2021
von
Pechlaner, M.
|
Oostenbrink, C.
|
van Gunsteren, W.
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7
On the Use of Side-Chain NMR Relaxation Data to Derive Structural and Dynamical Information on Proteins : A Case Study Using Hen Lysozyme
enthalten in:
Chembiochem : a European journal of chemical biology
| 2021
von
Smith, L.
|
van Gunsteren, W.
|
Hansen, N.
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8
A method to apply bond-angle constraints in molecular dynamics simulations
enthalten in:
Journal of computational chemistry
| 2021
von
Pechlaner, M.
|
Dorta, A.
|
Lin, Z.
| +2
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9
On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems : Overview and Perspective on Issues
enthalten in:
Chemphyschem : a European journal of chemical physics and physical chemistry
| 2021
von
van Gunsteren, W.
|
Daura, X.
|
Fuchs, P.
| +7
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10
On the use of 3J-coupling NMR data to derive structural information on proteins
enthalten in:
Journal of biomolecular NMR
| 2021
von
Smith, L.
|
van Gunsteren, W.
|
Stankiewicz, B.
| +1
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Journal of computational chemistry
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Journal of biomolecular NMR
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Journal of chemical theory and computation
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European biophysics journal
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Angewandte Chemie (International ed. in English)
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Journal of computer aided molecular design
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Protein science : a publication of the Protein ...
9
The journal of physical chemistry
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Chemistry (Weinheim an der Bergstrasse, Germany)
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26
Molecular dynamics
26
Structure refinement
25
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22
Comparative Study
22
Molecular dynamics simulation
18
GROMOS
15
EC 3.2.1.17
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Force field
15
Methanol
15
Muramidase
15
Y4S76JWI15
14
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13
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