| Year |
Citation |
Score |
| 2023 |
Kuczera K, Szoszkiewicz R, Shaffer C, Jas G. GB1 hairpin kinetics: capturing the folding pathway with molecular dynamics, replica exchange and optimal dimensionality reduction. Journal of Biomolecular Structure & Dynamics. 1-10. PMID 36591705 DOI: 10.1080/07391102.2022.2163427 |
0.402 |
|
| 2021 |
Jas GS, Childs EW, Middaugh CR, Kuczera K. Dissecting Multiple Pathways in the Relaxation Dynamics of Helix <==> Coil Transitions with Optimum Dimensionality Reduction. Biomolecules. 11. PMID 34572564 DOI: 10.3390/biom11091351 |
0.339 |
|
| 2021 |
Jas GS, Childs EW, Middaugh CR, Kuczera K. Probing the Internal Dynamics and Shape of Simple Peptides in Urea, Guanidinium Hydrochloride, and Proline Solutions with Time-Resolved Fluorescence Anisotropy and Atomistic Cosolvent Simulations. The Journal of Physical Chemistry. B. PMID 34559968 DOI: 10.1021/acs.jpcb.1c06838 |
0.371 |
|
| 2021 |
Jas GS, Childs EW, Middaugh CR, Kuczera K. Observing reorientation dynamics with Time-Resolved fluorescence and molecular dynamics in varying periodic boundary conditions. Journal of Biomolecular Structure & Dynamics. 1-15. PMID 34308794 DOI: 10.1080/07391102.2021.1947894 |
0.349 |
|
| 2021 |
Kuczera K, Szoszkiewicz R, He J, Jas GS. Length Dependent Folding Kinetics of Alanine-Based Helical Peptides from Optimal Dimensionality Reduction. Life (Basel, Switzerland). 11. PMID 33923197 DOI: 10.3390/life11050385 |
0.477 |
|
| 2020 |
Lee BL, Kuczera K, Lee KH, Childs EW, Jas GS. Unassisted N-acetyl-phenylalanine-amide transport across membrane with varying lipid size and composition: kinetic measurements and atomistic molecular dynamics simulation. Journal of Biomolecular Structure & Dynamics. 1-16. PMID 33034537 DOI: 10.1080/07391102.2020.1827037 |
0.393 |
|
| 2019 |
Jas GS, Vallejo-Calzada R, Johnson CK, Kuczera K. Dynamic elements and kinetics: Most favorable conformations of peptides in solution with measurements and simulations. The Journal of Chemical Physics. 151: 225102. PMID 31837693 DOI: 10.1063/1.5131782 |
0.733 |
|
| 2019 |
Jas GS, Childs EW, Kuczera K. Kinetic pathway analysis of an α-helix in two protonation states: Direct observation and optimal dimensionality reduction. The Journal of Chemical Physics. 150: 074902. PMID 30795683 DOI: 10.1063/1.5082192 |
0.465 |
|
| 2018 |
Jas GS, Kuczera K. Helix-Coil Transition Courses Through Multiple Pathways and Intermediates: Fast Kinetic Measurements and Dimensionality Reduction. The Journal of Physical Chemistry. B. PMID 30395709 DOI: 10.1021/Acs.Jpcb.8B07924 |
0.509 |
|
| 2018 |
Jas GS, Kuczera K. Deprotonation of a Single Amino Acid Residue Induces Significant Stability in an α-Helical Heteropeptide. The Journal of Physical Chemistry. B. PMID 30339390 DOI: 10.1021/Acs.Jpcb.8B07418 |
0.468 |
|
| 2016 |
Lee BL, Kuczera K, Middaugh CR, Jas GS. Publisher's Note: "Permeation of the three aromatic dipeptides through lipid bilayers: Experimental and computational study" [J. Chem. Phys. 144, 245103 (2016)]. The Journal of Chemical Physics. 145: 059902. PMID 27497582 DOI: 10.1063/1.4960183 |
0.31 |
|
| 2016 |
Lee BL, Kuczera K, Middaugh CR, Jas GS. Permeation of the three aromatic dipeptides through lipid bilayers: Experimental and computational study. The Journal of Chemical Physics. 144: 245103. PMID 27369545 DOI: 10.1063/1.4954241 |
0.514 |
|
| 2016 |
Jas GS, Middaugh CR, Kuczera K. Probing Selection Mechanism of the Most Favorable Conformation of a Dipeptide in Chaotropic and Kosmotropic Solution. The Journal of Physical Chemistry. B. PMID 27328987 DOI: 10.1021/Acs.Jpcb.6B04528 |
0.492 |
|
| 2016 |
Jas GS, Rentchler EC, Słowicka A, Hermansen JR, Johnson CK, Middaugh CR, Kuczera K. Reorientation Motion and Preferential Interactions of a Peptide in Denaturants and Osmolyte. The Journal of Physical Chemistry. B. PMID 26967551 DOI: 10.1021/Acs.Jpcb.6B00028 |
0.675 |
|
| 2014 |
Jas GS, Hegefeld WA, Middaugh CR, Johnson CK, Kuczera K. Detailed microscopic unfolding pathways of an α-helix and a β-hairpin: direct observation and molecular dynamics. The Journal of Physical Chemistry. B. 118: 7233-46. PMID 24897620 DOI: 10.1021/Jp500955Z |
0.787 |
|
| 2014 |
Jas GS, Middaugh CR, Kuczera K. Non-exponential kinetics and a complete folding pathway of an α-helical heteropeptide: direct observation and comprehensive molecular dynamics. The Journal of Physical Chemistry. B. 118: 639-47. PMID 24341828 DOI: 10.1021/Jp410934G |
0.536 |
|
| 2012 |
Deleon KY, Patel AP, Kuczera K, Johnson CK, Jas GS. Structure and reorientational dynamics of angiotensin I and II: a microscopic physical insight. Journal of Biomolecular Structure & Dynamics. 29: 671-90. PMID 22545998 DOI: 10.1080/07391102.2011.672631 |
0.781 |
|
| 2012 |
Jas GS, Hegefeld WA, Májek P, Kuczera K, Elber R. Experiments and comprehensive simulations of the formation of a helical turn. The Journal of Physical Chemistry. B. 116: 6598-610. PMID 22335541 DOI: 10.1021/Jp211645S |
0.813 |
|
| 2012 |
Cardenas AE, Jas GS, DeLeon KY, Hegefeld WA, Kuczera K, Elber R. Unassisted transport of N-acetyl-L-tryptophanamide through membrane: experiment and simulation of kinetics. The Journal of Physical Chemistry. B. 116: 2739-50. PMID 22313494 DOI: 10.1021/Jp2102447 |
0.723 |
|
| 2012 |
Jas GS, Kuczera K. Computer simulations of helix folding in homo-and heteropeptides Molecular Simulation. 38: 682-694. DOI: 10.1080/08927022.2012.671941 |
0.421 |
|
| 2012 |
Cardenas AE, DeLeon KY, Hegefeld WA, Kuczera K, Jas GS, Elber R. Unassisted Transport of Block Tryptophan through DOPC Membrane: Experiment and Simulation Biophysical Journal. 102: 713a-714a. DOI: 10.1016/J.Bpj.2011.11.3871 |
0.735 |
|
| 2011 |
Lin MM, Mohammed OF, Jas GS, Zewail AH. Speed limit of protein folding evidenced in secondary structure dynamics. Proceedings of the National Academy of Sciences of the United States of America. 108: 16622-7. PMID 21949361 DOI: 10.1073/Pnas.1113649108 |
0.356 |
|
| 2011 |
Hegefeld WA, Kuczera K, Jas GS. Structural dynamics of neuropeptide hPYY. Biopolymers. 95: 487-502. PMID 21360523 DOI: 10.1002/Bip.21608 |
0.808 |
|
| 2010 |
Hegefeld WA, Chen SE, DeLeon KY, Kuczera K, Jas GS. Helix formation in a pentapeptide: experiment and force-field dependent dynamics. The Journal of Physical Chemistry. A. 114: 12391-402. PMID 21058639 DOI: 10.1021/Jp102612D |
0.728 |
|
| 2010 |
Kuczera K, Unruh J, Johnson CK, Jas GS. Reorientations of aromatic amino acids and their side chain models: anisotropy measurements and molecular dynamics simulations. The Journal of Physical Chemistry. A. 114: 133-42. PMID 20055513 DOI: 10.1021/Jp907382H |
0.746 |
|
| 2009 |
Mohammed OF, Jas GS, Lin MM, Zewail AH. Primary peptide folding dynamics observed with ultrafast temperature jump. Angewandte Chemie (International Ed. in English). 48: 5628-32. PMID 19382153 DOI: 10.1002/Anie.200900513 |
0.357 |
|
| 2009 |
Kuczera K, Jas GS, Elber R. Kinetics of helix unfolding: molecular dynamics simulations with milestoning. The Journal of Physical Chemistry. A. 113: 7461-73. PMID 19354256 DOI: 10.1021/Jp900407W |
0.382 |
|
| 2008 |
Houndonougbo Y, Kuczera K, Jas GS. Effects of CMAP and electrostatic cutoffs on the dynamics of an integral membrane protein: The phospholamban study Journal of Biomolecular Structure and Dynamics. 26: 17-34. PMID 18533723 DOI: 10.1080/07391102.2008.10507220 |
0.498 |
|
| 2006 |
Muñoz V, Ghirlando R, Blanco FJ, Jas GS, Hofrichter J, Eaton WA. Folding and aggregation kinetics of a β-hairpin Biochemistry. 45: 7023-7035. PMID 16752893 DOI: 10.1021/Bi052556A |
0.479 |
|
| 2005 |
Houndonougbo Y, Kuczera K, Jas GS. Structure and dynamics of phospholamban in solution and in membrane bilayer: computer simulations. Biochemistry. 44: 1780-92. PMID 15697203 DOI: 10.1021/Bi0488404 |
0.5 |
|
| 2004 |
Jas GS, Kuczera K. Equilibrium structure and folding of a helix-forming peptide: circular dichroism measurements and replica-exchange molecular dynamics simulations. Biophysical Journal. 87: 3786-98. PMID 15339816 DOI: 10.1529/Biophysj.104.045419 |
0.561 |
|
| 2004 |
Yang C, Jas GS, Kuczera K. Structure, dynamics and interaction with kinase targets: computer simulations of calmodulin. Biochimica Et Biophysica Acta. 1697: 289-300. PMID 15023369 DOI: 10.1016/J.Bbapap.2003.11.032 |
0.441 |
|
| 2003 |
Mayor U, Guydosh NR, Johnson CM, Grossmann JG, Sato S, Jas GS, Freund SM, Alonso DO, Daggett V, Fersht AR. The complete folding pathway of a protein from nanoseconds to microseconds. Nature. 421: 863-7. PMID 12594518 DOI: 10.1038/Nature01428 |
0.439 |
|
| 2003 |
Braun CS, Jas GS, Choosakoonkriang S, Koe GS, Smith JG, Middaugh CR. The structure of DNA within cationic lipid/DNA complexes. Biophysical Journal. 84: 1114-23. PMID 12547792 DOI: 10.1016/S0006-3495(03)74927-3 |
0.345 |
|
| 2002 |
Jas GS, Kuczera K. Free-energy simulations of the oxidation of c-terminal methionines in calmodulin. Proteins. 48: 257-68. PMID 12112694 DOI: 10.1002/Prot.10133 |
0.355 |
|
| 2001 |
Yang C, Jas GS, Kuczera K. Structure and dynamics of calcium-activated calmodulin in solution Journal of Biomolecular Structure and Dynamics. 19: 247-271. PMID 11697730 DOI: 10.1080/07391102.2001.10506736 |
0.443 |
|
| 2001 |
Jas GS, Eaton WA, Hofrichter J. Effect of viscosity on the kinetics of α-helix and β-hairpin formation Journal of Physical Chemistry B. 105: 261-272. DOI: 10.1021/Jp0022048 |
0.376 |
|
| 2000 |
Eaton WA, Muñoz V, Hagen SJ, Jas GS, Lapidus LJ, Henry ER, Hofrichter J. Fast kinetics and mechanisms in protein folding. Annual Review of Biophysics and Biomolecular Structure. 29: 327-59. PMID 10940252 DOI: 10.1146/Annurev.Biophys.29.1.327 |
0.425 |
|
| 2000 |
Thompson PA, Muñoz V, Jas GS, Henry ER, Eaton aWA, Hofrichter J. The Helix-Coil Kinetics of a Heteropeptide Journal of Physical Chemistry B. 104: 378-389. DOI: 10.1021/Jp990292U |
0.444 |
|
| 2000 |
Jas GS, Larson EJ, Johnson CK, Kuczera K. Microscopic details of rotational diffusion of perylene in organic solvents: Molecular dynamics simulation and experiment vs debye-stokes-einstein theory Journal of Physical Chemistry A. 104: 9841-9852. DOI: 10.1021/Jp001520J |
0.384 |
|
| 1999 |
Rybak-Akimova EV, Kuczera K, Jas GS, Deng Y, Busch DH. Molecular Shape and Solvation of the Lacunar, Saddle-Shaped, and Planar Metal Cyclidene Complexes: Molecular Dynamics Studies. Inorganic Chemistry. 38: 3423-3434. PMID 11671080 DOI: 10.1021/Ic9904485 |
0.329 |
|
| 1997 |
Jas GS, Wang Y, Pauls SW, Johnson CK, Kuczera K. Influence of temperature and viscosity on anthracene rotational diffusion in organic solvents: Molecular dynamics simulations and fluorescence anisotropy study Journal of Chemical Physics. 107: 8800-8812. DOI: 10.1063/1.475172 |
0.643 |
|
| 1997 |
Arnold PA, Benson DR, Brink DJ, Hendrich MP, Jas GS, Kennedy ML, Petasis DT, Wang M. Helix Induction and Springboard Strain in Peptide-Sandwiched Mesohemes1 Inorganic Chemistry. 36: 5306-5315. DOI: 10.1021/Ic960444P |
0.406 |
|
| 1997 |
Arnold PA, Benson DR, Brink DJ, Hendrich MP, Jas GS, Kennedy ML, Petasis DT, Wang M. Helix Induction and Springboard Strain in Peptide-Sandwiched Mesohemes Inorganic Chemistry. 36: 5306-5315. |
0.306 |
|
| 1996 |
Jas GS, Wan C, Kuczera K, Johnson CK. Picosecond Time-Resolved Fourier-Transform Raman Spectroscopy and Normal-Mode Analysis of the Ground State and Singlet Excited State of Anthracene† The Journal of Physical Chemistry. 100: 11857-11862. DOI: 10.1021/Jp960607V |
0.582 |
|
| 1995 |
Jas GS, Wan C, Johnson CK. Picosecond Time-Resolved Fourier Transform Raman Spectroscopy of 9,10-Diphenylanthracene in the Excited Singlet State Applied Spectroscopy. 49: 645-649. DOI: 10.1366/0003702953963995 |
0.575 |
|
| 1994 |
Jas GS, Johnson CK. A Fourier-transform Raman study of the temperature dependence of chromophore conformation in light-adapted and dark-adapted bacteriorhodopsin Spectrochimica Acta Part a: Molecular Spectroscopy. 50: 1937-1942. DOI: 10.1016/0584-8539(94)80206-8 |
0.588 |
|
| 1994 |
Jas GS, Wan C, Johnson CK. Step-scan near-infrared Fourier-transform Raman spectroscopy with 100 picosecond laser pulses Spectrochimica Acta Part a: Molecular Spectroscopy. 50: 1825-1831. DOI: 10.1016/0584-8539(94)80195-9 |
0.571 |
|
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