MesoBioNano explorer-A universal program for multiscale computer simulations of complex molecular structure and dynamics

Ilia A. Solov'yov; Alexander V. Yakubovich; Pavel V. Nikolaev; Ilya Volkovets; Andrey V. Solov'yov

doi:10.1002/jcc.23086

MesoBioNano explorer-A universal program for multiscale computer simulations of complex molecular structure and dynamics

Journal of Computational Chemistry ◽

10.1002/jcc.23086 ◽

2012 ◽

Vol 33 (30) ◽

pp. 2412-2439 ◽

Cited By ~ 75

Author(s):

Ilia A. Solov'yov ◽

Alexander V. Yakubovich ◽

Pavel V. Nikolaev ◽

Ilya Volkovets ◽

Andrey V. Solov'yov

Keyword(s):

Molecular Structure ◽

Computer Simulations ◽

Universal Program ◽

Structure And Dynamics

Download Full-text

Molecular Structure and Dynamics of Nano-Confined Water: Computer Simulations of Aqueous Species in Clay, Cement, and Polymer Membranes

Transport and Reactivity of Solutions in Confined Hydrosystems - NATO Science for Peace and Security Series C: Environmental Security ◽

10.1007/978-94-007-7534-3_9 ◽

2013 ◽

pp. 103-115 ◽

Cited By ~ 1

Author(s):

Andrey G. Kalinichev

Keyword(s):

Molecular Structure ◽

Computer Simulations ◽

Polymer Membranes ◽

Confined Water ◽

Structure And Dynamics ◽

Aqueous Species

Download Full-text

Molecular Structure and Dynamics of 1,3-Distanna-2-Platina[3]Ferrocenophanes

Chemistry - A European Journal ◽

10.1002/(sici)1521-3765(19980615)4:6<1027::aid-chem1027>3.0.co;2-3 ◽

1998 ◽

Vol 4 (6) ◽

pp. 1027-1032 ◽

Cited By ~ 22

Author(s):

Max Herberhold ◽

Udo Steffl ◽

Wolfgang Milius ◽

Bernd Wrackmeyer

Keyword(s):

Molecular Structure ◽

Structure And Dynamics

Download Full-text

ChemInform Abstract: Methodology and Applications of Heteronuclear and Multidimensional 13C NMR to the Elucidation of Molecular Structure and Dynamics in the Liquid State

ChemInform ◽

10.1002/chin.199543319 ◽

2010 ◽

Vol 26 (43) ◽

pp. no-no

Author(s):

G. GEMMECKER ◽

H. KESSLER

Keyword(s):

Molecular Structure ◽

13C Nmr ◽

Liquid State ◽

Structure And Dynamics

Download Full-text

Change in molecular structure and dynamics of protein in milk protein concentrate powder upon ageing by solid-state carbon NMR

Food Hydrocolloids ◽

10.1016/j.foodhyd.2014.09.022 ◽

2015 ◽

Vol 44 ◽

pp. 66-70 ◽

Cited By ~ 12

Author(s):

Enamul Haque ◽

Bhesh R. Bhandari ◽

Michael J. Gidley ◽

Hilton C. Deeth ◽

Andrew K. Whittaker

Keyword(s):

Molecular Structure ◽

Solid State ◽

Milk Protein ◽

Protein Concentrate ◽

Milk Protein Concentrate ◽

Structure And Dynamics

Download Full-text

Probing Molecular Structure and Dynamics by Laser-Driven Electron Recollisions

Strong Field Laser Physics - Springer Series in Optical Sciences ◽

10.1007/978-0-387-34755-4_9 ◽

2008 ◽

pp. 209-224 ◽

Cited By ~ 1

Author(s):

J.P. Marangos ◽

S. Baker ◽

J.S. Robinson ◽

R. Torres ◽

J.W.G. Tisch ◽

...

Keyword(s):

Molecular Structure ◽

Structure And Dynamics

Download Full-text

Computer simulations of biomolecular structure and dynamics using a vibrational empirical potential energy function

Fifth International Conference on the Spectroscopy of Biological Molecules ◽

10.1007/978-94-011-1934-4_1 ◽

1993 ◽

pp. 3-6

Author(s):

P. Derreumaux ◽

G. Vergoten

Keyword(s):

Potential Energy ◽

Computer Simulations ◽

Energy Function ◽

Potential Energy Function ◽

Biomolecular Structure ◽

Empirical Potential ◽

Structure And Dynamics

Download Full-text

Molecular structure and dynamics of biopolymer gels by neutron scattering

Trends in Colloid and Interface Science V - Progress in Colloid & Polymer Science ◽

10.1007/bfb0116023 ◽

2007 ◽

pp. 461-464 ◽

Cited By ~ 8

Author(s):

A. Deriu ◽

F. Cavatorta ◽

D. Cabrini ◽

H. D. Middendorf

Keyword(s):

Molecular Structure ◽

Neutron Scattering ◽

Structure And Dynamics ◽

Biopolymer Gels

Download Full-text

Relaxation-Induced Transfer of Nuclear Spin Polarization as a Probe of Molecular Structure and Dynamics in Mobile Phases

Nuclear Magnetic Resonance Probes of Molecular Dynamics ◽

10.1007/978-94-011-1410-3_5 ◽

1994 ◽

pp. 223-263 ◽

Cited By ~ 10

Author(s):

Lawrence G. Werbelow

Keyword(s):

Molecular Structure ◽

Spin Polarization ◽

Nuclear Spin ◽

Nuclear Spin Polarization ◽

Structure And Dynamics ◽

Mobile Phases

Download Full-text

Methodology and Applications of Heteronuclear and Multidimensional 13 C NMR to the Elucidation of Molecular Structure and Dynamics in the Liquid State

Carbon-13 NMR Spectroscopy of Biological Systems ◽

10.1016/b978-012084370-1/50004-6 ◽

1995 ◽

pp. 7-64 ◽

Cited By ~ 3

Author(s):

Gerd Gemmecker ◽

Horst Kessler

Keyword(s):

Molecular Structure ◽

Liquid State ◽

Structure And Dynamics ◽

C Nmr

Download Full-text

Molecular Structure and Dynamics as Seen Through Rydberg States

Frontiers in Optics ◽

10.1364/ls.2005.lwc3 ◽

2005 ◽

Author(s):

M.P. Minitti ◽

J.L. Gosselin ◽

J.D. Cardoza ◽

P.M. Weber

Keyword(s):

Molecular Structure ◽

Rydberg States ◽

Structure And Dynamics

Download Full-text