Molecular dynamics simulation of a deoxydinucleoside-drug intercalation complex: dCpG/proflavin

S. Swaminathan; D. L. Beveridge; H. M. Berman

doi:10.1021/j100374a054

Molecular dynamics simulation of a deoxydinucleoside-drug intercalation complex: dCpG/proflavin

The Journal of Physical Chemistry ◽

10.1021/j100374a054 ◽

1990 ◽

Vol 94 (11) ◽

pp. 4660-4665 ◽

Cited By ~ 14

Author(s):

S. Swaminathan ◽

D. L. Beveridge ◽

H. M. Berman

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Intercalation Complex

Download Full-text

The dynemicin-DNA intercalation complex: a model based on DNA affinity cleavage and molecular dynamics simulation

Journal of the American Chemical Society ◽

10.1021/ja00012a004 ◽

1991 ◽

Vol 113 (12) ◽

pp. 4395-4403 ◽

Cited By ~ 46

Author(s):

D. R. Langley ◽

T. W. Doyle ◽

D. L. Beveridge

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Dna Intercalation ◽

Intercalation Complex ◽

Model Based ◽

Affinity Cleavage

Download Full-text

Thermal behavior of kaolinite–urea intercalation complex and molecular dynamics simulation for urea molecule orientation

Journal of Thermal Analysis and Calorimetry ◽

10.1007/s10973-014-3646-1 ◽

2014 ◽

Vol 117 (1) ◽

pp. 189-196 ◽

Cited By ~ 15

Author(s):

Qinfu Liu ◽

Shuai Zhang ◽

Hongfei Cheng ◽

Ding Wang ◽

Xiaoguang Li ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermal Behavior ◽

Dynamics Simulation ◽

Intercalation Complex ◽

Urea Molecule

Download Full-text

Molecular Dynamics Simulation of Basal Spacing, Energetics, and Structure Evolution of a Kaolinite–Formamide Intercalation Complex and Their Interfacial Interaction

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b10234 ◽

2018 ◽

Vol 122 (6) ◽

pp. 3341-3349 ◽

Cited By ~ 1

Author(s):

Shuai Zhang ◽

Qinfu Liu ◽

Feng Gao ◽

Brian J. Teppen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interfacial Interaction ◽

Dynamics Simulation ◽

Structure Evolution ◽

Basal Spacing ◽

Intercalation Complex

Download Full-text

Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

Download Full-text

Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Cited By ~ 24

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

Download Full-text

ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

Download Full-text

Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Cited By ~ 5

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

Download Full-text

A molecular dynamics simulation for an ODIC phase. - III. Analysis of the correlation functions

Journal de Physique ◽

10.1051/jphys:01987004805082100 ◽

1987 ◽

Vol 48 (5) ◽

pp. 821-835 ◽

Cited By ~ 6

Author(s):

Ph. Buchet ◽

R.M. Pick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Correlation Functions ◽

Dynamics Simulation ◽

Phase Iii

Download Full-text

ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

Download Full-text

SCALE INHIBITION OF SODIUM CARBOXYMETHYL CELLULOSE AT DIFFERENT GROWTH STAGES BASED ON MOLECULAR DYNAMICS SIMULATION

Heat Transfer Research ◽

10.1615/heattransres.2020033226 ◽

2020 ◽

Vol 51 (16) ◽

pp. 1455-1464

Author(s):

Yu Zhao ◽

Shanshan He ◽

Zhiming Xu ◽

Bingbing Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carboxymethyl Cellulose ◽

Dynamics Simulation ◽

Sodium Carboxymethyl Cellulose ◽

Growth Stages ◽

Scale Inhibition ◽

Different Growth Stages

Download Full-text