Skaf, Munir S: search on Z-Library

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1

Computer simulation of solvation dynamics in hydrogen-bonding liquids

Munir S. Skaf, Branka M. Ladanyi

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 672 KB

english, 1995

2

Molecular Recognition of PPARγ by Kinase Cdk5/p25: Insights from a Combination of Protein–Protein Docking and Adaptive Biasing Force Simulations

Mottin, Melina, Souza, Paulo C. T., Skaf, Munir S.

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 5.69 MB

english, 2015

3

Model for microemulsions: An exactly solvable case

Renlie, Lasse, Ho̸ye, Johan S., Skaf, Munir S., Stell, George

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 775 KB

english, 1991

4

Molecular dynamics simulations of AOT-water/formamide reverse micelles: Structural and dynamical properties

Pomata, Matías H. H., Laria, Daniel, Skaf, Munir S., Elola, M. Dolores

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 626 KB

english, 2008

5

Enzyme Microheterogeneous Hydration and Stabilization in Supercritical Carbon Dioxide

Silveira, Rodrigo L., Martínez, Julian, Skaf, Munir S., Martínez, Leandro

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 4.24 MB

english, 2012

6

Molecular dynamics simulation of the wave vector-dependent static dielectric properties of methanol–water mixtures

Skaf, Munir S., Ladanyi, Branka M.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 487 KB

english, 1995

7

Thermodynamical, structural, and clustering properties of a microemulsion model

Skaf, Munir S., Stell, George

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.48 MB

english, 1992

8

Solvation of excess electrons in supercritical ammonia

Rodriguez, Javier, Skaf, Munir S., Laria, Daniel

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 372 KB

english, 2003

9

Carbohydrate Clustering in Aqueous Solutions and the Dynamics of Confined Water

Sonoda, Milton T., Skaf, Munir S.

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 617 KB

english, 2007

10

Dielectric relaxation of supercritical water: Computer simulations

Skaf, Munir S., Laria, Daniel

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 301 KB

english, 2000

11

Alternative approach to percolation in microemulsions

Skaf, Munir S., Stell, George

Journal:

Physical Review A

Year:

1992

Language:

english

File:

PDF, 191 KB

english, 1992

12

Molecular dynamics simulations of dielectric properties of dimethyl sulfoxide: Comparison between available potentials

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 393 KB

english, 1997

13

Wave vector dependent dielectric relaxation in hydrogen-bonding liquids: A molecular dynamics study of methanol

Skaf, Munir S., Fonseca, Teresa, Ladanyi, Branka M.

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.59 MB

english, 1993

14

Optical Kerr Effect in Supercooled Water

Skaf, Munir S., Sonoda, Milton T.

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 161 KB

english, 2005

15

Mechanisms of the rotational dynamics of C70 in C70-cubane heteromolecular crystals

Faro, Tatiana M. C., Skaf, Munir S., Coluci, Vitor R.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.95 MB

english, 2011

16

Solvation of 5-fluorouracil in supercritical CO2

Ana C. Furlan, Munir S. Skaf

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 237 KB

english, 2008

17

Solvation response of polar liquid mixtures: Water-dimethylsulfoxide

Laria, Daniel, Skaf, Munir S.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 438 KB

english, 1999

18

Instantaneous normal mode analysis of hydrated electron solvation dynamics

Yang, Chao-Yie, Wong, Kim F., Skaf, Munir S., Rossky, Peter J.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 458 KB

english, 2001

19

Ligand Dissociation from Estrogen Receptor Is Mediated by Receptor Dimerization: Evidence from Molecular Dynamics Simulations

Sonoda, Milton T., Martínez, Leandro, Webb, Paul, Skaf, Munir S., Polikarpov, Igor

Journal:

Molecular Endocrinology

Year:

2008

Language:

english

File:

PDF, 695 KB

english, 2008

20

Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism

Liberato, Marcelo V., Silveira, Rodrigo L., Prates, Érica T., de Araujo, Evandro A., Pellegrini, Vanessa O. A., Camilo, Cesar M., Kadowaki, Marco A., Neto, Mario de O., Popov, Alexander, Skaf, Munir S

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 2.51 MB

english, 2016

21

Adsorption of CO2 and CH4 in MIL-47 investigated by the 3D-RISM molecular theory of solvation

Gavazzoni, Cristina, Skaf, Munir S

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 13.34 MB

2020

22

Molecular association between water and dimethyl sulfoxide in solution: the librational dynamics of water

Ivana A. Borin, Munir S. Skaf

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 140 KB

english, 1998

23

Helix 12 Dynamics and Thyroid Hormone Receptor Activity: Experimental and Molecular Dynamics Studies of Ile280 Mutants

Paulo C.T. Souza, Gustavo B. Barra, Lara F.R. Velasco, Isabel C.J. Ribeiro, Luiz A. Simeoni, Marie Togashi, Paul Webb, Francisco A.R. Neves, Munir S. Skaf, Leandro Martínez, Igor Polikarpov

Journal:

Journal of Molecular Biology

Year:

2011

Language:

english

File:

PDF, 1.28 MB

english, 2011

24

Directed discovery of greener cosolvents: new cosolvents for use in ionic liquid based organic electrolyte solutions for cellulose dissolution

Gale, Ella, Wirawan, Remigius H., Silveira, Rodrigo L., Pereira, Caroline S., Johns, Marcus A., Skaf, Munir S., Scott, Janet Lesley

Journal:

ACS Sustainable Chemistry & Engineering

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

25

Catalytic Mechanism of Aryl-Ether Bond Cleavage in Lignin by LigF and LigG

Prates, Erica Teixeira, Crowley, Michael F., Skaf, Munir S., Beckham, Gregg T.

Journal:

Journal of Physical Chemistry B

Year:

2019

Language:

english

File:

PDF, 2.64 MB

english, 2019

26

Articaine interaction with phospholipid bilayers

Prates, Ãrica Teixeira, Rodrigues da Silva, Gustavo Henrique, Souza, Thais F., Skaf, Munir S., Pickholz, MÃ³nica, de Paula, Eneida

Journal:

Journal of Molecular Structure

Year:

2020

File:

PDF, 1.90 MB

2020

27

Molecular Dynamics Simulations of Neutral Chlorpromazine in Zwitterionic Phospholipid Monolayers

Pickholz, Mónica, Oliveira,, Osvaldo N., Skaf, Munir S.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 503 KB

english, 2006

28

Molecular Dynamics Study of Dielectric Properties of Water−Dimethyl Sulfoxide Mixtures

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 148 KB

english, 1999

29

The pattern of xylan acetylation suggests xylan may interact with cellulose microfibrils as a twofold helical screw in the secondary plant cell wall of Arabidopsis thaliana

Busse-Wicher, Marta, Gomes, Thiago C. F., Tryfona, Theodora, Nikolovski, Nino, Stott, Katherine, Grantham, Nicholas J., Bolam, David N., Skaf, Munir S., Dupree, Paul

Journal:

The Plant Journal

Year:

2014

Language:

english

File:

PDF, 1.60 MB

english, 2014

30

A Lennard-Jones plus Coulomb potential for Al[sup 3+] ions in aqueous solutions

Faro, Tatiana M. C., Thim, Gilmar P., Skaf, Munir S.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 598 KB

english, 2010

31

Evaluation of carbon nanoscroll materials for post-combustion CO2 capture

Daff, Thomas D., Collins, Sean P., Dureckova, Hana, Perim, Eric, Skaf, Munir S., Galvão, Douglas S., Woo, Tom K.

Journal:

Year:

2016

Language:

english

File:

PDF, 2.00 MB

english, 2016

32

Erratum: Corrigendum: Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism

Liberato, Marcelo V., Silveira, Rodrigo L., Prates, Érica T., de Araujo, Evandro A., Pellegrini, Vanessa O. A., Camilo, Cesar M., Kadowaki, Marco A., Neto, Mario de O., Popov, Alexander, Skaf, Munir S

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 123 KB

english, 2016

33

Structure, computational and biochemical analysis of PcCel45A endoglucanase from Phanerochaete chrysosporium and catalytic mechanisms of GH45 subfamily C members

Godoy, Andre S., Pereira, Caroline S., Ramia, Marina Paglione, Silveira, Rodrigo L., Camilo, Cesar M., Kadowaki, Marco A., Lange, Lene, Busk, Peter K., Nascimento, Alessandro S., Skaf, Munir S., Polik

Journal:

Scientific Reports

Year:

2018

Language:

english

File:

PDF, 7.06 MB

english, 2018

34

Molecular association between water and dimethyl sulfoxide in solution: A molecular dynamics simulation study

Borin, Ivana A., Skaf, Munir S.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 581 KB

english, 1999

35

Structural and Electronic Characterization of Chemical and Conformational Defects in Conjugated Polymers

Wong, Kim F., Skaf, Munir S., Yang, Chao-Yie, Rossky, Peter J., Bagchi, Biman, Hu, Dehong, Yu, Ji, Barbara, Paul F.

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 80 KB

english, 2001

36

Plant Biomass Recalcitrance: Effect of Hemicellulose Composition on Nanoscale Forces that Control Cell Wall Strength

Silveira, Rodrigo L., Stoyanov, Stanislav R., Gusarov, Sergey, Skaf, Munir S., Kovalenko, Andriy

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 1.82 MB

english, 2013

37

CHARMM force field parameterization of rosiglitazone

Anders Hansson, Paulo C. T. Souza, Rodrigo L. Silveira, Leandro Martínez, Munir S. Skaf

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 183 KB

english, 2011

38

On the Denaturation Mechanisms of the Ligand Binding Domain of Thyroid Hormone Receptors

Martínez, Leandro, Souza, Paulo C. T., Garcia, Wanius, Batista, Fernanda A. H., Portugal, Rodrigo V., Nascimento, Alessandro S., Nakahira, Marcel, Lima, Luis M. T. R., Polikarpov, Igor, Skaf, Munir S

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 6.30 MB

english, 2010

39

Noncovalent Interaction with Graphene Oxide: The Crucial Role of Oxidative Debris

Coluci, Vitor R., Martinez, Diego Stéfani T., Honório, Jaqueline G., de Faria, Andréia F., Morales, Daniel A., Skaf, Munir S., Alves, Oswaldo L., Umbuzeiro, Gisela A.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.35 MB

english, 2014

40

Polarizability effects on the structure and dynamics of ionic liquids

Cavalcante, Ary de Oliveira, Ribeiro, Mauro C. C., Skaf, Munir S.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.33 MB

english, 2014

41

Molecular dynamics simulations of the dielectric properties of fructose aqueous solutions

Sonoda, Milton T, Dolores Elola, M, Skaf, Munir S

Journal:

Journal of Physics Condensed Matter

Year:

2016

Language:

english

File:

PDF, 907 KB

english, 2016

42

Allosteric Pathways in the PPARγ-RXRα nuclear receptor complex

Ricci, Clarisse G., Silveira, Rodrigo L., Rivalta, Ivan, Batista, Victor S., Skaf, Munir S.

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 2.95 MB

english, 2016

43

Collision-Induced Effects on the Dielectric Properties of Liquid Dimethylsulfoxide

Vechi, Sérgio M., Skaf, Munir S.

Journal:

Journal of the Brazilian Chemical Society

Year:

2002

File:

PDF, 352 KB

2002

44

Patient-Specific Bone Multiscale Modelling, Fracture Simulation and Risk Analysis—A Survey

de Alcântara, Amadeus C. S., Assis, Israel, Prada, Daniel, Mehle, Konrad, Schwan, Stefan, Costa-Paiva, Lucia, Skaf, Munir S., Wrobel, Luiz C., Sollero, Paulo

Journal:

Year:

2019

Language:

english

File:

PDF, 3.61 MB

english, 2019

45

Molecular Dynamics Simulations of the Squarate Dianion (C 4 O 42- ) in Aqueous Solution

Martins, Lucimara R., Ribeiro, Mauro C. C., Skaf, Munir S.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 142 KB

english, 2002

46

Molecular-dynamics simulations of dimethylsulfoxide-methanol mixtures

Vechi, Sérgio M., Skaf, Munir S.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 378 KB

english, 2005

47

Molecular Dynamics Simulations of Family 7 Cellobiohydrolase Mutants Aimed at Reducing Product Inhibition

Silveira, Rodrigo L., Skaf, Munir S.

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 1.92 MB

english, 2015

48

Only Subtle Protein Conformational Adaptations Are Required for Ligand Binding to Thyroid Hormone Receptors: Simulations Using a Novel Multipoint Steered Molecular Dynamics Approach

Martínez, Leandro, Polikarpov, Igor, Skaf, Munir S.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 1.88 MB

english, 2008

49

Polarizability anisotropy relaxation in pure and aqueous dimethylsulfoxide

Skaf, Munir S., Vechi, Sérgio M.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 339 KB

english, 2003

50

Computer simulations of the solvation dynamics of Coumarin 153 in dimethylsulfoxide

Lucimara R. Martins, Munir S. Skaf

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 195 KB

english, 2003

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