Authors:
MACKERELL AD
BASHFORD D
BELLOTT M
DUNBRACK RL
EVANSECK JD
FIELD MJ
FISCHER S
GAO J
GUO H
HA S
JOSEPHMCCARTHY D
KUCHNIR L
KUCZERA K
LAU FTK
MATTOS C
MICHNICK S
NGO T
NGUYEN DT
PRODHOM B
REIHER WE
ROUX B
SCHLENKRICH M
SMITH JC
STOTE R
STRAUB J
WATANABE M
WIORKIEWICZKUCZERA J
YIN D
KARPLUS M
Citation: Ad. Mackerell et al., ALL-ATOM EMPIRICAL POTENTIAL FOR MOLECULAR MODELING AND DYNAMICS STUDIES OF PROTEINS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(18), 1998, pp. 3586-3616
Citation: A. Hermone et K. Kuczera, FREE-ENERGY SIMULATIONS OF THE RETINAL CIS-]TRANS ISOMERIZATION IN BACTERIORHODOPSIN, Biochemistry, 37(9), 1998, pp. 2843-2853
Authors:
MASON S
CLIFFORD T
SEIB L
KUCZERA K
BOWMANJAMES K
Citation: S. Mason et al., UNUSUAL ENCAPSULATION OF 2 NITRATES IN A SINGLE BICYCLIC CAGE, Journal of the American Chemical Society, 120(34), 1998, pp. 8899-8900
Citation: Bl. Miller et al., ONE-ELECTRON PHOTOOXIDATION OF N-METHIONYL PEPTIDES - MECHANISM OF SULFOXIDE AND AZASULFONIUM DIASTEREOMER FORMATION THROUGH REACTION OF SULFIDE RADICAL-CATION COMPLEXES WITH OXYGEN OR SUPEROXIDE, Journal of the American Chemical Society, 120(14), 1998, pp. 3345-3356
Citation: Y. Wang et K. Kuczera, MULTIDIMENSIONAL CONFORMATIONAL FREE-ENERGY SURFACE EXPLORATION - HELICAL STATES OF ALA(N) AND AIB(N) PEPTIDES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(26), 1997, pp. 5205-5213
Citation: Gs. Jas et K. Kuczera, AB-INITIO CALCULATIONS OF S-1 EXCITED-STATE VIBRATIONAL-SPECTRA OF BENZENE, NAPHTHALENE AND ANTHRACENE, Chemical physics, 214(2-3), 1997, pp. 229-241
Authors:
JAS GS
WANG Y
PAULS SW
JOHNSON CK
KUCZERA K
Citation: Gs. Jas et al., INFLUENCE OF TEMPERATURE AND VISCOSITY ON ANTHRACENE ROTATIONAL DIFFUSION IN ORGANIC-SOLVENTS - MOLECULAR-DYNAMICS SIMULATIONS AND FLUORESCENCE ANISOTROPY STUDY, The Journal of chemical physics, 107(21), 1997, pp. 8800-8812
Citation: Gs. Jas et al., SIMULATION OF TRANSLATIONAL AND ROTATIONAL DIFFUSION OF ANTHRACENE INSOLUTION - INFLUENCE OF TEMPERATURE, AND VISCOSITY, Biophysical journal, 72(2), 1997, pp. 479-479
Citation: K. Kuczera, ONEDIMENSIONAL AND MULTIDIMENSIONAL CONFORMATIONAL FREE-ENERGY SIMULATIONS, Journal of computational chemistry, 17(15), 1996, pp. 1726-1749
Citation: Y. Wang et K. Kuczera, MOLECULAR-DYNAMICS SIMULATIONS OF CYCLIC AND LINEAR DPDPE - INFLUENCEOF THE DISULFIDE BOND ON PEPTIDE FLEXIBILITY, Journal of physical chemistry, 100(7), 1996, pp. 2555-2563
Citation: Gs. Jas et al., PICOSECOND TIME-RESOLVED FOURIER-TRANSFORM RAMAN-SPECTROSCOPY AND NORMAL-MODE ANALYSIS OF THE GROUND-STATE AND SINGLET EXCITED-STATE OF ANTHRACENE, Journal of physical chemistry, 100(29), 1996, pp. 11857-11862
Authors:
YAO YH
YIN DH
JAS GS
KUCZERA K
WILLIAMS TD
SCHONEICH C
SQUIER TC
Citation: Yh. Yao et al., OXIDATIVE MODIFICATION OF A CARBOXYL-TERMINAL VICINAL METHIONINE IN CALMODULIN BY HYDROGEN-PEROXIDE INHIBITS CALMODULIN-DEPENDENT ACTIVATION OF THE PLASMA-MEMBRANE CA-ATPASE, Biochemistry, 35(8), 1996, pp. 2767-2787
Authors:
PAPOYAN G
GU KJ
WIORKIEWICZKUCZERA J
KUCZERA K
BOWMANJAMES K
Citation: G. Papoyan et al., MOLECULAR-DYNAMICS SIMULATIONS OF NITRATE COMPLEXES WITH POLYAMMONIUMMACROCYCLES - INSIGHT ON PHOSPHORYL TRANSFER CATALYSIS, Journal of the American Chemical Society, 118(6), 1996, pp. 1354-1364
Citation: K. Kuczera et al., NONEXPONENTIAL RELAXATION AFTER LIGAND DISSOCIATION FROM MYOGLOBIN - A MOLECULAR-DYNAMICS SIMULATION, Proceedings of the National Academy of Sciences of the United Statesof America, 90(12), 1993, pp. 5805-5807