Jon Maple : rechercher sur Z-Library

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1

A Polarizable Force Field and Continuum Solvation Methodology for Modeling of Protein−Ligand Interactions

Maple, Jon R., Cao, Yixiang, Damm, Wolfgang, Halgren, Thomas A., Kaminski, George A., Zhang, Linda Y., Friesner, Richard A.

Journal:

Journal of Chemical Theory and Computation

Année:

2005

Langue:

english

Fichier:

PDF, 122 KB

english, 2005

2

Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds

Carl S. Ewig, Rajiv Berry, Uri Dinur, Jörg-Rüdiger Hill, Ming-Jing Hwang, Haiying Li, Chris Liang, Jon Maple, Zhengwei Peng, Thomas P. Stockfisch, Thomas S. Thacher, Lisa Yan, Xiangshan Ni, Arnold T.

Journal:

Journal of Computational Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 256 KB

english, 2001

3

Integrated Modeling Program, Applied Chemical Theory (IMPACT)

Jay L. Banks, Hege S. Beard, Yixiang Cao, Art E. Cho, Wolfgang Damm, Ramy Farid, Anthony K. Felts, Thomas A. Halgren, Daniel T. Mainz, Jon R. Maple, Robert Murphy, Dean M. Philipp, Matthew P. Repasky,

Journal:

Journal of Computational Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 381 KB

english, 2005

4

An ab Initio CFF93 All-Atom Force Field for Polycarbonates

Sun, Huai, Mumby, Stephen J., Maple, Jon R., Hagler, Arnold T.

Journal:

Journal of the American Chemical Society

Année:

1994

Langue:

english

Fichier:

PDF, 1.79 MB

english, 1994

5

Hexactinellid and Calcareous Sponges from the Pennsylvanian (Moscovian) Dikanre Formation from Xinjiang-Uygur Autonomous Region, Northwestern People's Republic of China

J. Keith Rigby, Johnny A. Waters, Christopher G. Maples, N. Gary Lane, Liao Zhou-Ting and Liu Lu-Jon

Journal:

Journal of Paleontology

Année:

1999

Langue:

english

Fichier:

PDF, 1.41 MB

english, 1999

6

Hexactinellid and calcareous sponges from the Pennsylvanian (Moscovian) Dikanre Formation from Xinjiang-Uygur Autonomous Region, northwestern People's Republic of China

Rigby, J. Keith, Waters, Johnny A., Maples, Christopher G., Lane, N. Gary, Zhou-Ting, Liao, Lu-Jon, Liu

Journal:

Journal of Paleontology

Année:

1999

Langue:

english

Fichier:

PDF, 10.20 MB

english, 1999

7

Transient stimulated vibrational Raman scattering in small molecule liquids

Jon R. Maple, J.Thomas Knudtson

Journal:

Chemical Physics Letters

Année:

1978

Langue:

english

Fichier:

PDF, 278 KB

english, 1978

8

Synthesis and characterization of the chromium(III) complexes of ethylene cross-bridged cyclam and cyclen ligands

Danny L. Maples, Randall D. Maples, Wesley A. Hoffert, Trenton H. Parsell, Allan van Asselt, Jon D. Silversides, Stephen J. Archibald, Timothy J. Hubin

Journal:

Inorganica Chimica Acta

Année:

2009

Langue:

english

Fichier:

PDF, 514 KB

english, 2009

9

Luminescence Instrument for the Acquisition of Low-Temperature Fluorescence and Phosphorescence Spectra

Pace, Charles F., Thornberg, Steven M., Maple, Jon R.

Journal:

Applied Spectroscopy

Année:

1988

Langue:

english

Fichier:

PDF, 522 KB

english, 1988

10

Site-Selection Fluorescence Spectrometry of Polycyclic Aromatic Hydrocarbons in Vapor-Deposited Argon Matrices

MacDonald, Brian F., Hammons, John L., Gore, Randy R., Maple, Jon R., Wehry, E. L.

Journal:

Applied Spectroscopy

Année:

1988

Langue:

english

Fichier:

PDF, 527 KB

english, 1988

11

Subpicogram laser-induced fluorescence detection of aromatic hydrocarbons in vapor-deposited aromatic crystals

Pace, Charles F., Maple, Jon R.

Journal:

Journal of the Optical Society of America B

Année:

1985

Langue:

english

Fichier:

PDF, 1.11 MB

english, 1985

12

Ab Initio Atomic Polarizability Tensors for Organic Molecules

Ewig, Carl S., Waldman, Marvin, Maple, Jon R.

Journal:

Journal of Physical Chemistry A

Année:

2002

Langue:

english

Fichier:

PDF, 84 KB

english, 2002

13

MRI-Guided Monitoring of Thermal Dose and Targeted Drug Delivery for Cancer Therapy

Ruchika Fernando, Jon Downs, Danny Maples, Ashish Ranjan

Journal:

Pharmaceutical Research

Année:

2013

Langue:

english

Fichier:

PDF, 380 KB

english, 2013

14

Binding Optimization through Coordination Chemistry: CXCR4 Chemokine Receptor Antagonists from Ultrarigid Metal Complexes

Khan, Abid, Nicholson, Gary, Greenman, John, Madden, Leigh, McRobbie, Graeme, Pannecouque, Christophe, De Clercq, Erik, Ullom, Robert, Maples, Danny L., Maples, Randall D., Silversides, Jon D., Hubin,

Journal:

Journal of the American Chemical Society

Année:

2009

Langue:

english

Fichier:

PDF, 257 KB

english, 2009

15

Derivation of Force Fields for Molecular Mechanics and Dynamics from ab initio Energy Surfaces

Jon R. Maple, Uri Dinur and Arnold T. Hagler

Journal:

Proceedings of the National Academy of Sciences

Année:

1988

Langue:

english

Fichier:

PDF, 1.09 MB

english, 1988

16

Pseudospectral Local Second-Order Møller−Plesset Methods for Computation of Hydrogen Bonding Energies of Molecular Pairs

Kaminski, George A., Maple, Jon R., Murphy, Robert B., Braden, Dale A., Friesner, Richard A.

Journal:

Journal of Chemical Theory and Computation

Année:

2005

Langue:

english

Fichier:

PDF, 49 KB

english, 2005

17

Laser-induced fluorescence spectrometry of methylnaphthalene derivatives prepared in a low-temperature aromatic crystal

Thornberg, Steven M., Maple, Jon R.

Journal:

Analytical Chemistry

Année:

1984

Langue:

english

Fichier:

PDF, 452 KB

english, 1984

18

Laser-induced phosphorescence spectrometry of halogenated naphthalene derivatives prepared in vapor-deposited parent molecule matrices

Pace, Charles F., Maple, Jon R.

Journal:

Analytical Chemistry

Année:

1989

Langue:

english

Fichier:

PDF, 645 KB

english, 1989

19

Tow-Photon Excitation of Fluorescence Spectrometry of Methylnaphthalene Derivatives Prepared in a Low-Temperature Durence Crystal

Thornberg, Steven M., Maple, Jon R.

Journal:

Analytical Chemistry

Année:

1985

Langue:

english

Fichier:

PDF, 528 KB

english, 1985

20

Fluorescence photoselection of matrix isolated polycyclic aromatic hydrocarbons

Maple, Jon R., Wehry, E. L.

Journal:

Analytical Chemistry

Année:

1981

Langue:

english

Fichier:

PDF, 875 KB

english, 1981

21

Matrix isolation site selection in fluorescence spectrometry of polar derivatives of polycyclic aromatic hydrocarbons

Maple, Jon R., Wehry, E. L.

Journal:

Analytical Chemistry

Année:

1981

Langue:

english

Fichier:

PDF, 768 KB

english, 1981

22

Fluctuations on the approach to equilibrium: Molecular dynamics study of rotational correlations for vibrating molecules

Maple, Jon R., Wilson, Robert S., Knudtson, J. Thomas

Journal:

The Journal of Chemical Physics

Année:

1980

Langue:

english

Fichier:

PDF, 378 KB

english, 1980

23

An ab initio procedure for deriving atomic polarizability tensors in molecules

Maple, Jon R., Ewig, Carl S.

Journal:

The Journal of Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 308 KB

english, 2001

24

Crystal structures of two cross-bridged chromium(III) tetraazamacrocycles

Prior, Timothy J., Maples, Danny L., Maples, Randall D., Hoffert, Wesley A., Parsell, Trenton H., Silversides, Jon D., Archibald, Stephen J., Hubin, Timothy J.

Journal:

Acta Crystallographica Section E Structure Reports Online

Année:

2014

Langue:

english

Fichier:

PDF, 1020 KB

english, 2014

25

OPLS3: a force field providing broad coverage of drug-like small molecules and proteins

Harder, Edward, Damm, Wolfgang, Maple, Jon, Wu, Chuanjie, Reboul, Mark, Xiang, Jin Yu, Wang, Lingle, Lupyan, Dmitry, Dahlgren, Markus K., Knight, Jennifer L., Kaus, Joseph W., Cerutti, David, Krilov,

Journal:

Journal of Chemical Theory and Computation

Année:

2015

Langue:

english

Fichier:

PDF, 2.40 MB

english, 2015

26

Laser-induced fluorescence spectrometry of polycyclic aromatic hydrocarbons isolated in vapor-deposited n-alkane matrices

Maple, Jon R., Wehry, E. L., Mamantov, Gleb.

Journal:

Analytical Chemistry

Année:

1980

Langue:

english

Fichier:

PDF, 636 KB

english, 1980

27

THE RAINFALL INDEX ANNUAL FORAGE PILOT PROGRAM AS A RISK MANAGEMENT TOOL FOR COOL-SEASON FORAGE

MAPLES, JOSHUA G., BRORSEN, B. WADE, BIERMACHER, JON T.

Journal:

Journal of Agricultural and Applied Economics

Année:

2016

Langue:

english

Fichier:

PDF, 204 KB

english, 2016

28

Laser-induced fluorescence spectrometry of aromatic hydrocarbon derivatives in vapor-deposited parent molecule matrixes

Pace, Charles F., Maple, Jon R.

Journal:

Analytical Chemistry

Année:

1985

Langue:

english

Fichier:

PDF, 835 KB

english, 1985

29

Aspartate-Based CXCR4 Chemokine Receptor Binding of Cross-Bridged Tetraazamacrocyclic Copper(II) and Zinc(II) Complexes

Maples, Randall D., Cain, Amy N., Burke, Benjamin P., Silversides, Jon D., Mewis, Ryan E., D'huys, Thomas, Schols, Dominique, Linder, Douglas P., Archibald, Stephen J., Hubin, Timothy J.

Journal:

Chemistry - A European Journal

Année:

2016

Langue:

english

Fichier:

PDF, 1.34 MB

english, 2016

30

Derivation of force fields for molecular mechanics and dynamics from ab initio energy surfaces

Maple, Jon R, Dinurt, Uri, Hagler, Arnold T

Journal:

Inorganic Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 1.07 MB

english, 1988