WARSHEL, A.: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

51

The resonance Raman spectrum of azulene

Ranty Liang, Otto Schnepp, Arieh Warshel

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 506 KB

english, 1976

52

On the molecular origin of the anomalous polarization in the resonance raman of metalloporphyrins

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 619 KB

english, 1976

53

Coupling of charge stabilization, torsion and bond alternation in light-induced reactions of visual pigments

A. Warshel, C. Deakyne

Journal:

Chemical Physics Letters

Year:

1978

Language:

english

File:

PDF, 828 KB

english, 1978

54

Semiclassical simulations of the spectra of anharmonic molecules; problems and alternatives

Jenn-Kang Hwang, Arieh Warshel

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 448 KB

english, 1985

55

A shortcut for multidimensional quantization. The average partial actions method

Jenn-Kang Hwang, Arieh Warshel

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 416 KB

english, 1985

56

Polarization constraints in molecular dynamics simulation of aqueous solutions: The surface constraint all atom solvent (SCAAS) model

A. Warshel, G. King

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 434 KB

english, 1985

57

Consistent force field for calculation of vibrational spectra and conformations of some amides and lactam rings

A. Warshel, M. Levitt, S. Lifson

Journal:

Journal of Molecular Spectroscopy

Year:

1970

Language:

english

File:

PDF, 1008 KB

english, 1970

58

Examination of intramolecular potential surfaces of flexible conjugated molecules by calculation of crystal structures. equilibrium geometries of chalc

A. Warshel, E. Huler, D. Rabinovich, Z. Shakked

Journal:

Journal of Molecular Structure

Year:

1974

Language:

english

File:

PDF, 1.04 MB

english, 1974

59

The QCFF/PI+MCA program package efficiency and versatility in molecular mechanics

Journal:

Computers & Chemistry

Year:

1977

Language:

english

File:

PDF, 706 KB

english, 1977

60

Calculations of the redox potentials of iron-sulfur proteins.

P.J. Stephens, G.M. Jensen, R. Langen, A. Warshel

Journal:

Journal of Inorganic Biochemistry

Year:

1993

Language:

english

File:

PDF, 60 KB

english, 1993

61

Theoretical modeling of the control of reduction potential of heme in cytochrome c peroxidase

G.M. Jensen, D.E. McRee, D.B. Goodin, A. Warshel

Journal:

Journal of Inorganic Biochemistry

Year:

1993

Language:

english

File:

PDF, 60 KB

english, 1993

62

Combined AB initio and electrostatic calculations of tryptophan-191 oxidation in compound ES of cytochrome-c-peroxidase

Steven W. Bunte, Gerard M. Jensen, Arieh Warshel, David B. Goodin

Journal:

Journal of Inorganic Biochemistry

Year:

1995

Language:

english

File:

PDF, 55 KB

english, 1995

63

Calculations of redox potentials for the [Fe4S4Cys4]2−3− cluster in site directed mutants of Azotobacter vinelandii ferredoxin I

D.R. Jollie, A. Warshel, P.J. Stephens

Journal:

Journal of Inorganic Biochemistry

Year:

1995

Language:

english

File:

PDF, 75 KB

english, 1995

64

Theoretical evaluation of potential surfaces, equilibrium geometries and vibronic transition intensities of excimers: the pyrene crystal excimer

Arieh Warshel, Eduardo Huler

Journal:

Chemical Physics

Year:

1974

Language:

english

File:

PDF, 473 KB

english, 1974

65

On the consistent calculation of lattice dynamics using semiempirical potential functions

E. Huler, A. Warshel

Journal:

Chemical Physics

Year:

1975

Language:

english

File:

PDF, 452 KB

english, 1975

66

Resonance raman spectrum of azulene

Ranty Liang, Otto Schnepp, Arieh Warshel

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 767 KB

english, 1978

67

Pair-states in α-perylene crystal. A theoretical study

M.D. Cohen, R. Haberkorn, E. Huler, Z. Ludmer, M.E. Michel-Beyerle, D. Rabinovich, R. Sharon, A. Warshel, V. Yakhot

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 444 KB

english, 1978

68

The dynamics of the primary event in rhodopsins revisited

A. Warshel, Z.T. Chu, J.-K. Hwang

Journal:

Chemical Physics

Year:

1991

Language:

english

File:

PDF, 1.11 MB

english, 1991

69

On the energetics of the primary electron-transfer process in bacterial reaction centers

A. Warshel, Z.T. Chu, W.W. Parson

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

1994

Language:

english

File:

PDF, 558 KB

english, 1994

70

Modeling electrostatic effects in proteins

Arieh Warshel, Pankaz K. Sharma, Mitsunori Kato, William W. Parson

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Year:

2006

Language:

english

File:

PDF, 1.74 MB

english, 2006

71

A density-matrix model of photosynthetic electron transfer with microscopically estimated vibrational relaxation times

William W. Parson, Arieh Warshel

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 542 KB

english, 2004

72

Two-dimensional free energy surfaces for primary electron transfer in a photosynthetic reaction center

A. Warshel, Z.T. Chu, W.W. Parson

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 244 KB

english, 1997

73

On the relationship between the dispersed polaron and spin-boson models

J.-K. Hwang, A. Warshel

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 156 KB

english, 1997

74

Mechanistic alternatives in phosphate monoester hydrolysis: What conclusions can be drawn from available experimental data?

Johan Åqvist, Karin Kolmodin, Jan Florian, Arieh Warshel

Journal:

Chemistry & Biology

Year:

1999

Language:

english

File:

PDF, 1.29 MB

english, 1999

75

An analysis of all the relevant facts and arguments indicates that enzyme catalysis does not involve large contributions from nuclear tunneling

Shina C. L. Kamerlin, Arieh Warshel

Journal:

Journal of Physical Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 330 KB

english, 2010

76

Simulations of ion current in realistic models of ion channels: The KcsA potassium channel

A. Burykin, C. N. Schutz, J. Villá, A. Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2002

Language:

english

File:

PDF, 925 KB

english, 2002

77

Exploring the origin of the ion selectivity of the KcsA potassium channel

Anton Burykin, Mitsunori Kato, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2003

Language:

english

File:

PDF, 1.01 MB

english, 2003

78

Why does the Ras switch “break” by oncogenic mutations?

Avital Shurki, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2004

Language:

english

File:

PDF, 595 KB

english, 2004

79

Exploring the role of large conformational changes in the fidelity of DNA polymerase β

Yun Xiang, Myron F. Goodman, William A. Beard, Samuel H. Wilson, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2008

Language:

english

File:

PDF, 622 KB

english, 2008

80

Effective approach for calculations of absolute stability of proteins using focused dielectric constants

Spyridon Vicatos, Maite Roca, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2009

Language:

english

File:

PDF, 459 KB

english, 2009

81

A binding free energy decomposition approach for accurate calculations of the fidelity of DNA polymerases

Robert Rucker, Peter Oelschlaeger, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 388 KB

english, 2010

82

Multiscale simulations of protein landscapes: Using coarse-grained models as reference potentials to full explicit models

Benjamin M. Messer, Maite Roca, Zhen T. Chu, Spyridon Vicatos, Alexandra Vardi Kilshtain, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 797 KB

english, 2010

83

A comprehensive examination of the contributions to the binding entropy of protein–ligand complexes

Nidhi Singh, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 413 KB

english, 2010

84

Absolute binding free energy calculations: On the accuracy of computational scoring of protein–ligand interactions

Nidhi Singh, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 722 KB

english, 2010

85

Simulating electrostatic energies in proteins: Perspectives and some recent studies of pKas, redox, and other crucial functional properties

Arieh Warshel, Anatoly Dryga

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2011

Language:

english

File:

PDF, 543 KB

english, 2011

86

Prechemistry versus preorganization in DNA replication fidelity

B. Ram Prasad, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2011

Language:

english

File:

PDF, 2.56 MB

english, 2011

87

Microscopic simulation of quantum dynamics and nuclear tunneling in bacterial reaction centers

Zhen Tao Chu, Arieh Warshel, William W. Parson

Journal:

Photosynthesis Research

Year:

1984

Language:

english

File:

PDF, 531 KB

english, 1984

88

Calculations of the electrostatic free energy contributions to the binding free energy of sulfonamides to carbonic anhydrase

Jeffry D. Madura, Yasushi Nakajima, Rodney M. Hamilton, Andrzej Wierzbicki, Arieh Warshel

Journal:

Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 514 KB

english, 1996

89

Using simplified protein representation as a reference potential for all-atom calculations of folding free energy

Z. Z. Fan, J.-K. Hwang, A. Warshel

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1999

Language:

english

File:

PDF, 104 KB

english, 1999

90

Perspective on “The energetics of enzymatic reactions”

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2000

Language:

english

File:

PDF, 70 KB

english, 2000

91

Simulating large nuclear quantum mechanical corrections in hydrogen atom transfer reactions in metalloenzymes

MatsH.M. Olsson, PerE.M. Siegbahn, Arieh Warshel

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 733 KB

english, 2004

92

Microscopic and semimacroscopic redox calculations: what can and cannot be learned from continuum models

A. Warshel, A. Papazyan, I. Muegge

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

1997

Language:

english

File:

PDF, 252 KB

english, 1997

93

Bicycle-pedal model for the first step in the vision process

Journal:

Year:

1976

File:

PDF, 596 KB

1976

94

What about protein polarity?

Journal:

Year:

1987

File:

PDF, 287 KB

1987

95

Why ion pair reversal by protein engineering is unlikely to succeed

Hwang, Jenn-Kang, Warshel, Arieh

Journal:

Year:

1988

File:

PDF, 484 KB

1988

96

Substrate-assisted catalysis as a mechanism for GTP hydrolysis of p21ras and other GTP-binding proteins

Schweins, Thomas, Geyer, Matthias, Scheffzek, Klaus, Warshel, Arieh, Kalbitzer, Hans Robert, Wittinghofer, Alfred

Journal:

Natural Structural Biology

Year:

1995

File:

PDF, 830 KB

1995

97

Why have mutagenesis studies not located the general base in ras p21

Schweins, T., Langen, R., Warshel, A.

Journal:

Natural Structural Biology

Year:

1994

File:

PDF, 613 KB

1994

98

Oscillations of the energy gap for the initial electron-transfer step in bacterial reaction centers

William W. Parson, Zhen Tao Chu, Arieh Warshel

Journal:

Photosynthesis Research

Year:

1998

Language:

english

File:

PDF, 205 KB

english, 1998

99

DNA Polymerase β Fidelity: Halomethylene-Modified Leaving Groups in Pre-Steady-State Kinetic Analysis Reveal Differences at the Chemical Transition State†

Sucato, Christopher A., Upton, Thomas G., Kashemirov, Boris A., Osuna, Jorge, Oertell, Keriann, Beard, William A., Wilson, Samuel H., Florián, Jan, Warshel, Arieh, McKenna, Charles E.

Journal:

Year:

2008

Language:

english

File:

PDF, 236 KB

english, 2008

100

Computer Simulations of Electron-Transfer Reactions in Solution and in Photosynthetic Reaction Centers

Warshel, A, Parson, W W

Journal:

Annual Review of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 1003 KB

english, 1991