Bash, Paul: search on Z-Library

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1

An approach to the application of free energy perturbation methods using molecular dynamics: applications to the transformations of methanol .fwdarw. ethane, oxonium .fwdarw. ammonium, glycine .fwdarw. alanine, and alanine .fwdarw. phenylalanine in aqueous solution and to H3O+(H2O)3 .fwdarw. NH4+(H2O)3 in the gas phase

Singh, U. C., Brown, Frank K., Bash, Paul A., Kollman, Peter A.

Journal:

Journal of the American Chemical Society

Year:

1987

Language:

english

File:

PDF, 1012 KB

english, 1987

2

A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides

Pavelites, Joseph J., Gao, Jiali, Bash, Paul A., Mackerell, Alexander D.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 453 KB

english, 1997

3

A theoretical study of tautomerism in the gas phase and aqueous solution: a combined use of state-of-the-art ab initio quantum mechanics and free energy-perturbation methods

Cieplak, Piotr, Bash, Paul, Singh, U. Chandra, Kollman, Peter A.

Journal:

Journal of the American Chemical Society

Year:

1987

Language:

english

File:

PDF, 859 KB

english, 1987

4

Early experience with percutaneous transcatheter implantation of heart valve prosthesis for the treatment of end-stage inoperable patients with calcific aortic stenosis

Alain Cribier, Hélène Eltchaninoff, Christophe Tron, Fabrice Bauer, Carla Agatiello, Laurent Sebagh, Assaf Bash, Danielle Nusimovici, P.Y Litzler, Jean-Paul Bessou, Martin B Leon

Journal:

Journal of the American College of Cardiology

Year:

2004

Language:

english

File:

PDF, 191 KB

english, 2004

5

Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potential

Bash, Paul A., Field, Martin J., Karplus, Martin

Journal:

Journal of the American Chemical Society

Year:

1987

Language:

english

File:

PDF, 1.03 MB

english, 1987

6

Simulation of the Enzyme Reaction Mechanism of Malate Dehydrogenase †

Cunningham, Mark A., Ho, L. Lawrence, Nguyen, Dzung T., Gillilan, Richard E., Bash, Paul A.

Journal:

Year:

1997

Language:

english

File:

PDF, 336 KB

english, 1997

7

Seasonality and pituitary volume

Paul J. Schwartz, Justin A. Loe, Craig N. Bash, Karen Bove, Erick H. Turner, Joseph A. Frank, Thomas A. Wehr, Norman E. Rosenthal

Journal:

Psychiatry Research: Neuroimaging

Year:

1997

Language:

english

File:

PDF, 614 KB

english, 1997

8

Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analog of the intermediate on the reaction pathway

Davenport, Robert C., Bash, Paul A., Seaton, Barbara A., Karplus, Martin, Petsko, Gregory A., Ringe, Dagmar

Journal:

Year:

1991

Language:

english

File:

PDF, 749 KB

english, 1991

9

Proton and Hydride Transfers in Solution: Hybrid QM/MM Free Energy Perturbation Study

Ho, L. Lawrence, MacKerell,, Alexander D., Bash, Paul A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 593 KB

english, 1996

10

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

Martin J. Field, Paul A. Bash, Martin Karplus

Journal:

Journal of Computational Chemistry

Year:

1990

Language:

english

File:

PDF, 2.74 MB

english, 1990

11

Structure of Nogalamycin Bound to a DNA Hexamer

Loren Dean Williams, Martin Egli, Qi Gao, Paul Bash, Gijs A. van der Marel, Jacques H. van Boom, Alexander Rich and Christine A. Frederick

Journal:

Proceedings of the National Academy of Sciences

Year:

1990

Language:

english

File:

PDF, 1.05 MB

english, 1990

12

The effect of interferon-β on blood—brain barrier disruptions demonstrated by constrast-enhanced magnetic resonance imaging in relapsing—remitting multiple sclerosis

Lael A. Stone, Joseph A. Frank, Paul S. Albert, Craig Bash, Mary E. Smith, Heidi Maloni, Dr. Henry F. McFarland

Journal:

Annals of Neurology

Year:

1995

Language:

english

File:

PDF, 889 KB

english, 1995

13

Cotylurus lutzi (Strigeidae): Pre- and postadult stages cultured in vitro

Paul F. Bash, Joseph J. DiConza

Journal:

Journal of Invertebrate Pathology

Year:

1975

Language:

english

File:

PDF, 2.79 MB

english, 1975

14

Combining Laue diffraction and molecular dynamics to study enzyme intermediates

Stoddard, Barry L., Dean, Antony, Bash, Paul A.

Journal:

Natural Structural Biology

Year:

1996

File:

PDF, 912 KB

1996

15

Progress toward Chemical Accuracy in the Computer Simulation of Condensed Phase Reactions

Paul A. Bash, L. Lawrence Ho, Alexander D. MacKerell, David Levine and Philip Hallstrom

Journal:

Proceedings of the National Academy of Sciences

Year:

1996

Language:

english

File:

PDF, 878 KB

english, 1996

16

Free energy perturbation calculations on binding and catalysis after mutating Asn 155 in subtilisin

Rao, Shashidhar N., Singh, U. Chandra, Bash, Paul A., Kollman, Peter A.

Journal:

Year:

1987

File:

PDF, 470 KB

1987

17

Simulation analysis of triose phosphate isomerase: conformational transition and catalysis

Karplus, Martin, Evanseck, Jeffrey D., Joseph, Diane, Bash, Paul A., Field, Martin J.

Journal:

Faraday Discussions

Year:

1992

Language:

english

File:

PDF, 1.22 MB

english, 1992

18

Passive immunization against nicotine prevents nicotine alleviation of nicotine abstinence syndrome

David H Malin, J.Ronald Lake, Andy Lin, Michael Saldaña, Laura Balch, M.L.Laredo Irvin, Hishara Chandrasekara, Candice L Alvarado, Yoko Hieda, Dan E Keyler, Paul R Pentel, Sofiane Ennifar, Lisa E Bash

Journal:

Pharmacology Biochemistry and Behavior

Year:

2001

Language:

english

File:

PDF, 281 KB

english, 2001

19

Study of Nursing Care Hours

Journal:

Nursing Research

Year:

1966

File:

PDF, 89 KB

1966

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