| Year |
Citation |
Score |
| 2020 |
Neumann LSM, Dias AHS, Skaf MS. Molecular Modeling of Aquaporins from . The Journal of Physical Chemistry. B. PMID 32551664 DOI: 10.1021/Acs.Jpcb.0C03550 |
0.37 |
|
| 2020 |
Gavazzoni C, Skaf MS. Adsorption of CO and CH in MIL-47 investigated by the 3D-RISM molecular theory of solvation. Physical Chemistry Chemical Physics : Pccp. 22: 13240-13247. PMID 32500908 DOI: 10.1039/D0Cp01025A |
0.326 |
|
| 2020 |
Prates ÉT, Silva GHRd, Souza TFd, Skaf MS, Pickholz M, Paula Ed. Articaine interaction with phospholipid bilayers Journal of Molecular Structure. 1222: 128854. DOI: 10.1016/J.Molstruc.2020.128854 |
0.34 |
|
| 2019 |
Prates ET, Crowley MF, Skaf MS, Beckham GT. The Catalytic Mechanism of Aryl-Ether Bond Cleavage in Lignin by LigF and LigG. The Journal of Physical Chemistry. B. PMID 31687816 DOI: 10.1021/Acs.Jpcb.9B06243 |
0.33 |
|
| 2019 |
Puhl AC, Prates ET, Rosseto FR, Manzine LR, Stankovic I, de Araújo SS, Alvarez TM, Squina FM, Skaf MS, Polikarpov I. Crystallographic structure and molecular dynamics simulations of the major endoglucanase from Xanthomonas campestris pv. campestris shed light on its oligosaccharide products release pattern. International Journal of Biological Macromolecules. 136: 493-502. PMID 31216447 DOI: 10.1016/J.Ijbiomac.2019.06.107 |
0.404 |
|
| 2018 |
Yu L, Lyczakowski JJ, Pereira CS, Kotake T, Yu X, Li A, Mogelsvang S, Skaf MS, Dupree P. The patterned structure of galactoglucomannan suggests it may bind to cellulose in seed mucilage. Plant Physiology. PMID 30185440 DOI: 10.1104/Pp.18.00709 |
0.329 |
|
| 2018 |
Prates ET, Guan X, Li Y, Wang X, Chaffey PK, Skaf MS, Crowley MF, Tan Z, Beckham GT. The impact of -glycan chemistry on the stability of intrinsically disordered proteins. Chemical Science. 9: 3710-3715. PMID 29780502 DOI: 10.1039/C7Sc05016J |
0.302 |
|
| 2018 |
Silveira RL, Skaf MS. Concerted motions and large-scale structural fluctuations of Trichoderma reesei Cel7A cellobiohydrolase. Physical Chemistry Chemical Physics : Pccp. PMID 29488531 DOI: 10.1039/C8Cp00101D |
0.337 |
|
| 2018 |
Godoy AS, Pereira CS, Ramia MP, Silveira RL, Camilo CM, Kadowaki MA, Lange L, Busk PK, Nascimento AS, Skaf MS, Polikarpov I. Structure, computational and biochemical analysis of PcCel45A endoglucanase from Phanerochaete chrysosporium and catalytic mechanisms of GH45 subfamily C members. Scientific Reports. 8: 3678. PMID 29487297 DOI: 10.1038/S41598-018-21798-9 |
0.328 |
|
| 2018 |
Jorge SE, Bringas M, Petruk AA, Arrar M, Marti MA, Skaf MS, Costa FF, Capece L, Sonati MF, Estrin D. Understanding the molecular basis of the high oxygen affinity variant human hemoglobin Coimbra. Archives of Biochemistry and Biophysics. 637: 73-78. PMID 29199120 DOI: 10.1016/J.Abb.2017.11.010 |
0.366 |
|
| 2017 |
Contesini FJ, Liberato MV, Rubio MV, Calzado F, Zubieta MP, Pachón DMR, Squina FM, Bracht F, Skaf MS, Damásio AR. Structural and functional characterization of a highly secreted α-L-arabinofuranosidase (GH62) from Aspergillus nidulans grown on sugarcane bagasse. Biochimica Et Biophysica Acta. PMID 28890404 DOI: 10.1016/J.Bbapap.2017.09.001 |
0.323 |
|
| 2017 |
Souza PCT, Textor LC, Melo DC, Nascimento AS, Skaf MS, Polikarpov I. An alternative conformation of ERβ bound to estradiol reveals H12 in a stable antagonist position. Scientific Reports. 7: 3509. PMID 28615710 DOI: 10.1038/S41598-017-03774-X |
0.345 |
|
| 2017 |
Pereira CS, Silveira RL, Dupree P, Skaf MS. Effects of Xylan Side Chain Substitutions on Xylan-Cellulose Interactions and Implications for Thermal Pretreatment of Cellulosic Biomass. Biomacromolecules. PMID 28252951 DOI: 10.1021/Acs.Biomac.7B00067 |
0.32 |
|
| 2016 |
Mottin M, Souza PC, Ricci CG, Skaf MS. CHARMM Force Field Parameterization of Peroxisome Proliferator-Activated Receptor γ Ligands. International Journal of Molecular Sciences. 18. PMID 28025495 DOI: 10.3390/Ijms18010015 |
0.332 |
|
| 2016 |
Sonoda MT, Dolores Elola M, Skaf MS. Molecular dynamics simulations of the dielectric properties of fructose aqueous solutions. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 414018. PMID 27546528 DOI: 10.1088/0953-8984/28/41/414018 |
0.434 |
|
| 2016 |
Busse-Wicher M, Li A, Silveira RL, Pereira CS, Tryfona T, Gomes TC, Skaf MS, Dupree P. Evolution of xylan substitution patterns in gymnosperms and angiosperms: implications for xylan interaction with cellulose. Plant Physiology. PMID 27325663 DOI: 10.1104/Pp.16.00539 |
0.327 |
|
| 2016 |
Calzado F, Prates ET, Gonçalves TA, Rubio MV, Zubieta MP, Squina FM, Skaf MS, Damásio AR. Molecular basis of substrate recognition and specificity revealed in family 12 glycoside hydrolases. Biotechnology and Bioengineering. PMID 27316782 DOI: 10.1002/Bit.26036 |
0.318 |
|
| 2016 |
Silveira RL, Stoyanov SR, Kovalenko A, Skaf MS. Cellulose Aggregation Under Hydrothermal Pretreatment Conditions. Biomacromolecules. PMID 27301535 DOI: 10.1021/Acs.Biomac.6B00603 |
0.339 |
|
| 2016 |
Liberato MV, Silveira RL, Prates ÉT, de Araujo EA, Pellegrini VO, Camilo CM, Kadowaki MA, Neto Mde O, Popov A, Skaf MS, Polikarpov I. Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism. Scientific Reports. 6: 23473. PMID 27032335 DOI: 10.1038/Srep23473 |
0.334 |
|
| 2016 |
Ricci CG, Silveira RL, Rivalta I, Batista VS, Skaf MS. Allosteric Pathways in the PPARγ-RXRα nuclear receptor complex. Scientific Reports. 6: 19940. PMID 26823026 DOI: 10.1038/Srep19940 |
0.309 |
|
| 2016 |
Silveira RL, Skaf MS. Molecular dynamics of the Bacillus subtilis expansin EXLX1: interaction with substrates and structural basis of the lack of activity of mutants. Physical Chemistry Chemical Physics : Pccp. 18: 3510-21. PMID 26751268 DOI: 10.1039/C5Cp06674C |
0.396 |
|
| 2016 |
Gale E, Wirawan RH, Silveira RL, Pereira CS, Johns MA, Skaf MS, Scott JL. Directed Discovery of Greener Cosolvents: New Cosolvents for Use in Ionic Liquid Based Organic Electrolyte Solutions for Cellulose Dissolution Acs Sustainable Chemistry & Engineering. 4: 6200-6207. DOI: 10.1021/Acssuschemeng.6B02020 |
0.309 |
|
| 2015 |
Silveira RL, Stoyanov SR, Gusarov S, Skaf MS, Kovalenko A. Supramolecular Interactions in Secondary Plant Cell Walls: Effect of Lignin Chemical Composition Revealed with the Molecular Theory of Solvation. The Journal of Physical Chemistry Letters. 6: 206-11. PMID 26263115 DOI: 10.1021/Jz502298Q |
0.327 |
|
| 2015 |
Mottin M, Souza PC, Skaf MS. Molecular Recognition of PPARγ by Kinase Cdk5/p25: Insights from a Combination of Protein-Protein Docking and Adaptive Biasing Force Simulations. The Journal of Physical Chemistry. B. 119: 8330-9. PMID 26047365 DOI: 10.1021/Acs.Jpcb.5B04269 |
0.314 |
|
| 2015 |
Silveira RL, Skaf MS. Molecular Dynamics Simulations of Family 7 Cellobiohydrolase Mutants Aimed at Reducing Product Inhibition. The Journal of Physical Chemistry. B. 119: 9295-303. PMID 25436435 DOI: 10.1021/Jp509911M |
0.335 |
|
| 2014 |
Busse-Wicher M, Gomes TC, Tryfona T, Nikolovski N, Stott K, Grantham NJ, Bolam DN, Skaf MS, Dupree P. 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. The Plant Journal : For Cell and Molecular Biology. 79: 492-506. PMID 24889696 DOI: 10.1111/Tpj.12575 |
0.358 |
|
| 2014 |
Cavalcante Ade O, Ribeiro MC, Skaf MS. Polarizability effects on the structure and dynamics of ionic liquids. The Journal of Chemical Physics. 140: 144108. PMID 24735289 DOI: 10.1063/1.4869143 |
0.41 |
|
| 2014 |
Souza PCT, Puhl AC, Martínez L, Aparício R, Nascimento AS, Figueira ACM, Nguyen P, Webb P, Skaf MS, Polikarpov I. Identification of a new hormone-binding site on the surface of thyroid hormone receptor Molecular Endocrinology. 28: 534-545. PMID 24552590 DOI: 10.1210/Me.2013-1359 |
0.305 |
|
| 2013 |
Lima MA, Oliveira-Neto M, Kadowaki MA, Rosseto FR, Prates ET, Squina FM, Leme AF, Skaf MS, Polikarpov I. Aspergillus niger β-glucosidase has a cellulase-like tadpole molecular shape: insights into glycoside hydrolase family 3 (GH3) β-glucosidase structure and function. The Journal of Biological Chemistry. 288: 32991-3005. PMID 24064212 DOI: 10.1074/Jbc.M113.479279 |
0.356 |
|
| 2013 |
Prates ÉT, Stankovic I, Silveira RL, Liberato MV, Henrique-Silva F, Pereira N, Polikarpov I, Skaf MS. X-ray structure and molecular dynamics simulations of endoglucanase 3 from Trichoderma harzianum: structural organization and substrate recognition by endoglucanases that lack cellulose binding module. Plos One. 8: e59069. PMID 23516599 DOI: 10.1371/Journal.Pone.0059069 |
0.358 |
|
| 2013 |
Textor LC, Colussi F, Silveira RL, Serpa V, de Mello BL, Muniz JR, Squina FM, Pereira N, Skaf MS, Polikarpov I. Joint X-ray crystallographic and molecular dynamics study of cellobiohydrolase I from Trichoderma harzianum: deciphering the structural features of cellobiohydrolase catalytic activity. The Febs Journal. 280: 56-69. PMID 23114223 DOI: 10.1111/Febs.12049 |
0.351 |
|
| 2012 |
Liberato MV, Nascimento AS, Ayers SD, Lin JZ, Cvoro A, Silveira RL, MartÃnez L, Souza PC, Saidemberg D, Deng T, Amato AA, Togashi M, Hsueh WA, Phillips K, Palma MS, ... ... Skaf MS, et al. Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) γ activators and pan-PPAR partial agonists. Plos One. 7: e36297. PMID 22649490 DOI: 10.1371/Journal.Pone.0036297 |
0.322 |
|
| 2012 |
Silveira RL, Martínez J, Skaf MS, Martínez L. Enzyme microheterogeneous hydration and stabilization in supercritical carbon dioxide. The Journal of Physical Chemistry. B. 116: 5671-8. PMID 22497454 DOI: 10.1021/Jp3017858 |
0.349 |
|
| 2012 |
Gomes TC, Skaf MS. Cellulose-builder: a toolkit for building crystalline structures of cellulose. Journal of Computational Chemistry. 33: 1338-46. PMID 22419406 DOI: 10.1002/Jcc.22959 |
0.307 |
|
| 2012 |
Puhl AC, Bernardes A, Silveira RL, Yuan J, Campos JL, Saidemberg DM, Palma MS, Cvoro A, Ayers SD, Webb P, Reinach PS, Skaf MS, Polikarpov I. Mode of peroxisome proliferator-activated receptor γ activation by luteolin. Molecular Pharmacology. 81: 788-99. PMID 22391103 DOI: 10.1124/Mol.111.076216 |
0.306 |
|
| 2011 |
Bleicher L, Prates ET, Gomes TC, Silveira RL, Nascimento AS, Rojas AL, Golubev A, Martínez L, Skaf MS, Polikarpov I. Molecular basis of the thermostability and thermophilicity of laminarinases: X-ray structure of the hyperthermostable laminarinase from Rhodothermus marinus and molecular dynamics simulations. The Journal of Physical Chemistry. B. 115: 7940-9. PMID 21619042 DOI: 10.1021/Jp200330Z |
0.37 |
|
| 2011 |
Souza PC, Barra GB, Velasco LF, Ribeiro IC, Simeoni LA, Togashi M, Webb P, Neves FA, Skaf MS, Martínez L, Polikarpov I. Helix 12 dynamics and thyroid hormone receptor activity: experimental and molecular dynamics studies of Ile280 mutants. Journal of Molecular Biology. 412: 882-93. PMID 21530542 DOI: 10.1016/J.Jmb.2011.04.014 |
0.365 |
|
| 2011 |
Figueira ACM, Saidemberg DM, Souza PCT, Martínez L, Scanlan TS, Baxter JD, Skaf MS, Palma MS, Webb P, Polikarpov I. Analysis of agonist and antagonist effects on thyroid hormone receptor conformation by hydrogen/deuterium exchange Molecular Endocrinology. 25: 15-31. PMID 21106879 DOI: 10.1210/Me.2010-0202 |
0.345 |
|
| 2011 |
Martínez L, Figueira ACM, Webb P, Polikarpov I, Skaf MS. Mapping the intramolecular vibrational energy flow in proteins reveals functionally important residues Journal of Physical Chemistry Letters. 2: 2073-2078. DOI: 10.1021/Jz200830G |
0.305 |
|
| 2011 |
Prates ET, Souza PCT, Pickholz M, Skaf MS. CHARMM-based parameterization of neutral articaine-a widely used local anesthetic International Journal of Quantum Chemistry. 111: 1339-1345. DOI: 10.1002/Qua.22701 |
0.389 |
|
| 2011 |
Hansson A, Souza PCT, Silveira RL, Martínez L, Skaf MS. CHARMM force field parameterization of rosiglitazone International Journal of Quantum Chemistry. 111: 1346-1354. DOI: 10.1002/Qua.22638 |
0.388 |
|
| 2010 |
de Araujo AS, Martínez L, de Paula Nicoluci R, Skaf MS, Polikarpov I. Structural modeling of high-affinity thyroid receptor-ligand complexes. European Biophysics Journal : Ebj. 39: 1523-36. PMID 20512645 DOI: 10.1007/S00249-010-0610-2 |
0.302 |
|
| 2010 |
Faro TM, Thim GP, Skaf MS. A Lennard-Jones plus Coulomb potential for Al3+ ions in aqueous solutions. The Journal of Chemical Physics. 132: 114509. PMID 20331307 DOI: 10.1063/1.3364110 |
0.357 |
|
| 2010 |
Martínez L, Souza PC, Garcia W, Batista FA, Portugal RV, Nascimento AS, Nakahira M, Lima LM, Polikarpov I, Skaf MS. On the denaturation mechanisms of the ligand binding domain of thyroid hormone receptors. The Journal of Physical Chemistry. B. 114: 1529-40. PMID 20043653 DOI: 10.1021/Jp911554P |
0.365 |
|
| 2009 |
Martínez L, Nascimento AS, Nunes FM, Phillips K, Aparicio R, Dias SMG, Figueira ACM, Lin JH, Nguyen P, Apriletti JW, Neves FAR, Baxter JD, Webb P, Skaf MS, Polikarpov I. Gaining ligand selectivity in thyroid hormone receptors via entropy Proceedings of the National Academy of Sciences of the United States of America. 106: 20717-20722. PMID 19926848 DOI: 10.1073/Pnas.0911024106 |
0.306 |
|
| 2009 |
Pomata MH, Sonoda MT, Skaf MS, Elola MD. Anomalous dynamics of hydration water in carbohydrate solutions. The Journal of Physical Chemistry. B. 113: 12999-3006. PMID 19737000 DOI: 10.1021/Jp904019C |
0.719 |
|
| 2008 |
Pomata MH, Laria D, Skaf MS, Elola MD. Molecular dynamics simulations of AOT-water/formamide reverse micelles: structural and dynamical properties. The Journal of Chemical Physics. 129: 244503. PMID 19123513 DOI: 10.1063/1.3042275 |
0.724 |
|
| 2008 |
Martínez L, Polikarpov I, Skaf MS. Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: simulations using a novel multipoint steered molecular dynamics approach. The Journal of Physical Chemistry. B. 112: 10741-51. PMID 18681473 DOI: 10.1021/Jp803403C |
0.32 |
|
| 2008 |
Sonoda MT, Martínez L, Webb P, Skaf MS, Polikarpov I. Ligand dissociation from estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations. Molecular Endocrinology (Baltimore, Md.). 22: 1565-78. PMID 18403716 DOI: 10.1210/Me.2007-0501 |
0.315 |
|
| 2008 |
Coluci V, Sato F, Braga SF, Skaf MS, Galvao DS. A Molecular Dynamics Study of the Rotational Dynamics and Polymerization of C 60 in C 60 -Cubane Crystals Mrs Proceedings. 1130. DOI: 10.1557/Proc-1130-W06-31 |
0.332 |
|
| 2008 |
Coluci VR, Sato F, Braga SF, Skaf MS, Galvão DS. Rotational dynamics and polymerization of C60 in C60 -cubane crystals: A molecular dynamics study Journal of Chemical Physics. 129. DOI: 10.1063/1.2965885 |
0.392 |
|
| 2008 |
Furlan AC, Skaf MS. Solvation of 5-fluorouracil in supercritical CO2 International Journal of Quantum Chemistry. 108: 2557-2563. DOI: 10.1002/Qua.21676 |
0.385 |
|
| 2007 |
Sonoda MT, Skaf MS. Carbohydrate clustering in aqueous solutions and the dynamics of confined water. The Journal of Physical Chemistry. B. 111: 11948-56. PMID 17887790 DOI: 10.1021/Jp0749120 |
0.419 |
|
| 2007 |
Pickholz M, Oliveira ON, Skaf MS. Interactions of chlorpromazine with phospholipid monolayers: effects of the ionization state of the drug. Biophysical Chemistry. 125: 425-34. PMID 17137705 DOI: 10.1016/J.Bpc.2006.10.010 |
0.368 |
|
| 2006 |
Pickholz M, Oliveira ON, Skaf MS. Molecular dynamics simulations of neutral chlorpromazine in zwitterionic phospholipid monolayers. The Journal of Physical Chemistry. B. 110: 8804-14. PMID 16640439 DOI: 10.1021/Jp056678O |
0.333 |
|
| 2006 |
Martínez L, Webb P, Polikarpov I, Skaf MS. Molecular dynamics simulations of ligand dissociation from thyroid hormone receptors: evidence of the likeliest escape pathway and its implications for the design of novel ligands. Journal of Medicinal Chemistry. 49: 23-6. PMID 16392786 DOI: 10.1021/Jm050805N |
0.357 |
|
| 2005 |
Sonoda MT, Vechi SM, Skaf MS. A simulation study of the optical Kerr effect in liquid water. Physical Chemistry Chemical Physics : Pccp. 7: 1176-80. PMID 19791330 DOI: 10.1039/B417147K |
0.381 |
|
| 2005 |
Pantano DA, Sonoda MT, Skaf MS, Laria D. Solvation of coumarin 314 at water/air interfaces containing anionic surfactants. I. Low coverage. The Journal of Physical Chemistry. B. 109: 7365-72. PMID 16851843 DOI: 10.1021/Jp045687E |
0.413 |
|
| 2005 |
Vechi SM, Skaf MS. Molecular-dynamics simulations of dimethylsulfoxide-methanol mixtures. The Journal of Chemical Physics. 123: 154507. PMID 16252962 DOI: 10.1063/1.2085052 |
0.455 |
|
| 2005 |
Martínez L, Sonoda MT, Webb P, Baxter JD, Skaf MS, Polikarpov I. Molecular dynamics simulations reveal multiple pathways of ligand dissociation from thyroid hormone receptors Biophysical Journal. 89: 2011-2023. PMID 15980170 DOI: 10.1529/Biophysj.105.063818 |
0.335 |
|
| 2005 |
Skaf MS, Sonoda MT. Optical Kerr effect in supercooled water. Physical Review Letters. 94: 137802. PMID 15904038 DOI: 10.1103/Physrevlett.94.137802 |
0.371 |
|
| 2005 |
Favero FW, Skaf MS. Solvation of purine alkaloids in supercritical CO2 by molecular dynamics simulations Journal of Supercritical Fluids. 34: 237-241. DOI: 10.1016/J.Supflu.2004.11.020 |
0.378 |
|
| 2004 |
Sonoda MT, Moreira NH, Martínez L, Favero FW, Vechi SM, Martins LR, Skaf MS. A review on the dynamics of water Brazilian Journal of Physics. 34: 3-16. DOI: 10.1590/S0103-97332004000100002 |
0.408 |
|
| 2004 |
Martins LR, Skaf MS, Ladanyi BM. Solvation dynamics at the water/zirconia Interface: Molecular dynamics simulations Journal of Physical Chemistry B. 108: 19687-19697. DOI: 10.1021/Jp0470896 |
0.636 |
|
| 2004 |
Moreira NH, Skaf MS. Structural characterization of the H2O/CCl4 liquid interface using molecular dynamics simulations Progress in Colloid and Polymer Science. 128: 81-85. DOI: 10.1007/B97086 |
0.445 |
|
| 2003 |
Rodriguez J, Skaf MS, Laria D. Solvatipn of excess electrons in supercritical ammonia Journal of Chemical Physics. 119: 6044-6052. DOI: 10.1063/1.1601215 |
0.323 |
|
| 2003 |
Skaf MS, Vechi SM. Polarizability anisotropy relaxation in pure and aqueous dimethylsulfoxide Journal of Chemical Physics. 119: 2181-2187. DOI: 10.1063/1.1583677 |
0.397 |
|
| 2003 |
Martins LR, Tamashiro A, Laria D, Skaf MS. Solvation dynamics of coumarin 153 in dimethylsulfoxide-water mixtures: Molecular dynamics simulations Journal of Chemical Physics. 118: 5955-5963. DOI: 10.1063/1.1556296 |
0.449 |
|
| 2003 |
Martins LR, Skaf MS. Computer simulations of the solvation dynamics of Coumarin 153 in dimethylsulfoxide Chemical Physics Letters. 370: 683-689. DOI: 10.1016/S0009-2614(03)00159-3 |
0.383 |
|
| 2002 |
Vechi SM, Skaf MS. Collision-induced effects on the dielectric properties of liquid dimethylsulfoxide Journal of the Brazilian Chemical Society. 13: 583-591. DOI: 10.1590/S0103-50532002000500007 |
0.412 |
|
| 2002 |
Laria D, Skaf MS. Path integral-molecular dynamics study of electronic states in supercritical water Journal of Physical Chemistry A. 106: 8066-8069. DOI: 10.1021/Jp021278B |
0.379 |
|
| 2002 |
Martins LR, Ribeiro MCC, Skaf MS. Molecular dynamics simulations of the squarate dianion (C4O42-) in aqueous solution Journal of Physical Chemistry B. 106: 5492-5499. DOI: 10.1021/Jp014038P |
0.442 |
|
| 2002 |
Martins LR, Vazquez PAM, Skaf MS. Hydration structures of the squarate dianion C4O42-. A combined molecular dynamics simulation and quantum ab initio study Journal of Molecular Structure: Theochem. 580: 137-145. DOI: 10.1016/S0166-1280(01)00608-X |
0.441 |
|
| 2001 |
Yang CY, Wong KF, Skaf MS, Rossky PJ. Instantaneous normal mode analysis of hydrated electron solvation dynamics Journal of Chemical Physics. 114: 3598-3611. DOI: 10.1063/1.1343871 |
0.353 |
|
| 2000 |
Skaf MS, Laria D. Dielectric relaxation of supercritical water: computer simulations Journal of Chemical Physics. 113: 3499-3502. DOI: 10.1063/1.1289919 |
0.383 |
|
| 2000 |
Skaf MS. Nonlocal dielectric functions of molecular liquids from computer simulations Journal of Molecular Structure: Theochem. 505: 45-53. DOI: 10.1016/S0166-1280(99)00333-4 |
0.368 |
|
| 1999 |
Laria D, Skaf MS. Solvation response of polar liquid mixtures: Water-dimethylsulfoxide Journal of Chemical Physics. 111: 300-309. DOI: 10.1063/1.479290 |
0.404 |
|
| 1999 |
Borin IA, Skaf MS. Molecular association between water and dimethyl sulfoxide in solution: A molecular dynamics simulation study The Journal of Chemical Physics. 110: 6412-6420. DOI: 10.1063/1.478544 |
0.45 |
|
| 1999 |
Skaf MS. Molecular dynamics study of dielectric properties of water-dimethyl sulfoxide mixtures Journal of Physical Chemistry A. 103: 10719-10729. DOI: 10.1021/Jp992247S |
0.443 |
|
| 1998 |
Borin IA, Skaf MS. Molecular association between water and dimethyl sulfoxide in solution: The librational dynamics of water Chemical Physics Letters. 296: 125-130. DOI: 10.1016/S0009-2614(98)01025-2 |
0.426 |
|
| 1997 |
Skaf MS. Static dielectric properties of a model for liquid DMSO Molecular Physics. 90: 25-34. DOI: 10.1080/00268979709482582 |
0.328 |
|
| 1997 |
Skaf MS, Borin IA, Ladanyi BM. Molecular Engineering. 7: 457-472. DOI: 10.1023/A:1008284601172 |
0.504 |
|
| 1996 |
Skaf MS, Ladanyi BM. Molecular dynamics simulation of solvation dynamics in methanol-water mixtures Journal of Physical Chemistry. 100: 18258-18268. DOI: 10.1021/Jp961634O |
0.642 |
|
| 1996 |
Ladanyi BM, Skaf MS. Wave vector-dependent dielectric relaxation of methanol-water mixtures Journal of Physical Chemistry. 100: 1368-1380. DOI: 10.1021/Jp951834K |
0.618 |
|
| 1995 |
Skaf MS, Ladanyi BM. Molecular dynamics simulation of the wave vector-dependent static dielectric properties of methanol-water mixtures The Journal of Chemical Physics. 102: 6542-6551. DOI: 10.1063/1.469368 |
0.602 |
|
| 1995 |
Skaf MS, Ladanyi BM. Computer simulation of solvation dynamics in hydrogen-bonding liquids Journal of Molecular Structure: Theochem. 335: 181-188. DOI: 10.1016/0166-1280(94)03999-2 |
0.637 |
|
| 1993 |
Ladanyi BM, Skaf MS. Computer simulation of hydrogen-bonding liquids Annual Review of Physical Chemistry. 44: 335-368. DOI: 10.1146/Annurev.Pc.44.100193.002003 |
0.576 |
|
| 1993 |
Skaf MS, Fonseca T, Ladanyi BM. Wave vector dependent dielectric relaxation in hydrogen-bonding liquids: A molecular dynamics study of methanol The Journal of Chemical Physics. 98: 8929-8945. DOI: 10.1063/1.464452 |
0.7 |
|
| 1992 |
Skaf MS, Stell G. Alternative approach to percolation in microemulsions. Physical Review. A. 46: R3020-R3023. PMID 9908548 DOI: 10.1103/Physreva.46.R3020 |
0.306 |
|
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