[10] Molecular dynamics simulation techniques for determination of molecular structures from nuclear magnetic resonance data

Magnetic Resonance ◽

Molecular Structures ◽

Dynamics Simulation ◽

Magnetic Resonance Data ◽

Simulation Techniques ◽

Resonance Data

Protein Unfolding Transitions in an Intrinsically Unstable Annexin Domain: Molecular Dynamics Simulation and Comparison with Nuclear Magnetic Resonance Data

Biophysical Journal ◽

10.1016/s0006-3495(02)75200-4 ◽

2002 ◽

Vol 83 (2) ◽

pp. 681-698 ◽

Cited By ~ 6

Author(s):

Tru Huynh ◽

Jeremy C. Smith ◽

Alain Sanson

Keyword(s):

Molecular Dynamics ◽

Magnetic Resonance ◽

Protein Unfolding ◽

Dynamics Simulation ◽

Magnetic Resonance Data ◽

Resonance Data ◽

Determination of protein structures from nuclear magnetic resonance data using a restrained molecular dynamics approach: The lac repressor DNA binding domain

Biochimie ◽

10.1016/s0300-9084(85)80158-9 ◽

1985 ◽

Vol 67 (7-8) ◽

pp. 707-715 ◽

Cited By ~ 43

Author(s):

E ZUIDERWEG ◽

R SCHEEK ◽

R BOELENS ◽

W VANGUNSTEREN ◽

R KAPTEIN

Keyword(s):

Molecular Dynamics ◽

Magnetic Resonance ◽

Dna Binding ◽

Protein Structures ◽

Lac Repressor ◽

Dna Binding Domain ◽

Magnetic Resonance Data ◽

Resonance Data

Determination of the stereochemistry of natural products from nuclear magnetic resonance data by constrained molecular dynamics

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(199603)17:4<409::aid-jcc3>3.0.co;2-y ◽

1996 ◽

Vol 17 (4) ◽

pp. 409-417 ◽

Cited By ~ 10

Author(s):

Michael Falk ◽

Peter F. Spierenburg ◽

John A. Walter

Keyword(s):

Molecular Dynamics ◽

Natural Products ◽

Magnetic Resonance ◽

Magnetic Resonance Data ◽

Resonance Data ◽

Crystal and molecular structures of [AsPh4][Ln(S2PMe2)4](Ln = Ce or Tm) and their comparison with results obtained from paramagnetic nuclear magnetic resonance data in solution

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9820001809 ◽

1982 ◽

pp. 1809 ◽

Cited By ~ 17

Author(s):

Stavros Spiliadis ◽

A. Alan Pinkerton ◽

Dieter Schwarzenbach

Keyword(s):

Magnetic Resonance ◽

Molecular Structures ◽

Crystal And Molecular Structures ◽

Magnetic Resonance Data ◽

Resonance Data ◽

Structure determination of the Antp(C39 → S) homeodomain from nuclear magnetic resonance data in solution using a novel strategy for the structure calculation with the programs DIANA, CALIBA, HABAS and GLOMSA

Journal of Molecular Biology ◽

10.1016/0022-2836(91)90755-u ◽

1991 ◽

Vol 217 (3) ◽

pp. 531-540 ◽

Cited By ~ 95

Author(s):

Peter Güntert ◽

Yan Qiu Qian ◽

Gottfried Otting ◽

Martin Müller ◽

Walter Gehring ◽

...

Keyword(s):

Magnetic Resonance ◽

Structure Determination ◽

Structure Calculation ◽

Magnetic Resonance Data ◽

Resonance Data ◽

Novel Strategy ◽

Thermal and Nonthermal Microwave Effects of Ethanol and Hexane-Mixed Solution as Revealed by In Situ Microwave Irradiation Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c06383 ◽

2020 ◽

Vol 124 (43) ◽

pp. 9615-9624

Author(s):

Yugo Tasei ◽

Batsaikhan Mijiddorj ◽

Teruaki Fujito ◽

Izuru Kawamura ◽

Kazuyoshi Ueda ◽

...

Keyword(s):

Molecular Dynamics ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Microwave Irradiation ◽

Dynamics Simulation ◽

Resonance Spectroscopy ◽

Mixed Solution

Structure of lead oxyfluorosilicate glasses: X-ray photoelectron and nuclear magnetic resonance spectroscopy and molecular dynamics simulation

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(00)00233-7 ◽

2000 ◽

Vol 272 (2-3) ◽

pp. 103-118 ◽

Cited By ~ 30

Author(s):

Satoshi Hayakawa ◽

Akiyoshi Osaka ◽

Hironori Nishioka ◽

Syuji Matsumoto ◽

Yoshinari Miura

Keyword(s):

Molecular Dynamics ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Dynamics Simulation ◽

Resonance Spectroscopy ◽

X Ray ◽

Determination of the position of the N-O function in substituted pyrazine N-oxides by chemometric analysis of carbon-13 nuclear magnetic resonance data

Journal of Molecular Structure ◽

10.1016/j.molstruc.2013.03.058 ◽

2013 ◽

Vol 1043 ◽

pp. 37-42 ◽

Cited By ~ 5

Author(s):

Matias Butler ◽

Gabriela M. Cabrera

Keyword(s):

Magnetic Resonance ◽

Chemometric Analysis ◽

Magnetic Resonance Data ◽

Resonance Data ◽

Methods in Enzymology - Nuclear Magnetic Resonance of Biological Macromolecules - Part B ◽

Automatic Determination of Protein Backbone Resonance Assignments from Triple Resonance Nuclear Magnetic Resonance Data

10.1016/s0076-6879(01)39311-4 ◽

2001 ◽

pp. 91-108 ◽

Cited By ~ 114

Author(s):

Hunter N.B. Moseley ◽

Daniel Monleon ◽

Gaetano T. Montelione

Keyword(s):

Magnetic Resonance ◽

Resonance Assignments ◽

Triple Resonance ◽

Automatic Determination ◽

Protein Backbone ◽

Backbone Resonance Assignments ◽

Magnetic Resonance Data ◽

Resonance Data

Fractional protein dynamics seen by nuclear magnetic resonance spectroscopy: Relating molecular dynamics simulation and experiment

The Journal of Chemical Physics ◽

10.1063/1.3486195 ◽

2010 ◽

Vol 133 (14) ◽

pp. 145101 ◽

Cited By ~ 26

Author(s):

Vania Calandrini ◽

Daniel Abergel ◽

Gerald R. Kneller

Keyword(s):

Molecular Dynamics ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Protein Dynamics ◽

Dynamics Simulation ◽

Resonance Spectroscopy ◽

Simulation And Experiment