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1

X-ray structure breakthroughs in the GPCR transmembrane region

Sid Topiol, Michael Sabio

Journal:

Biochemical Pharmacology

Year:

2009

Language:

english

File:

PDF, 636 KB

english, 2009

2

Corporate Sustainability Conference 2002: The Impact of CSR on Management Disciplines || Using Indicators to Measure Sustainability Performance at a Corporate and Project Level

Justin J. Keeble, Sophie Topiol and Simon Berkeley

Journal:

Journal of Business Ethics

Year:

2003

Language:

english

File:

PDF, 2.09 MB

english, 2003

3

Computations to model three-center bonds in hydrogenated amorphous silicon

Snyder, Lawrence C., Moskowitz, Jules W., Topiol, Sid

Journal:

Physical Review B

Year:

1982

Language:

english

File:

PDF, 251 KB

english, 1982

4

A Surprising Recipe for Designing Biased Ligands

Journal:

Journal of Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 418 KB

english, 2018

5

A computational study of a host-guest complex

Michael Sabio, Sid Topiol

Journal:

Journal of Molecular Recognition

Year:

1997

Language:

english

File:

PDF, 232 KB

english, 1997

6

ChemInform Abstract: Elucidation of Chiral Recognition Principles

S. TOPIOL, M. SABIO

Journal:

Year:

1997

File:

PDF, 23 KB

1997

7

Two contact-point chiral distinction: Model CHFClBr dimers

Sarit Garten, P. Ulrich Biedermann, Israel Agranat, Sid Topiol

Journal:

Year:

2005

Language:

english

File:

PDF, 1.94 MB

english, 2005

8

Electrostatic chiral distinction: Tetrahedral model dimers

Sarit Garten, P. Ulrich Biedermann, Sid Topiol, Israel Agranat

Journal:

Year:

2010

Language:

english

File:

PDF, 515 KB

english, 2010

9

A general criterion for molecular recognition: Implications for chiral interactions

Journal:

Year:

1989

Language:

english

File:

PDF, 989 KB

english, 1989

10

A molecular dynamics investigation of chiral discrimination complexes as chiral stationary-phase models: Methyl N-(2-naphthyl)alaninate with N-(3,5-dinitrobenzoyl)leucine n-propylamide

Michael Sabio, Sid Topiol

Journal:

Year:

1991

Language:

english

File:

PDF, 940 KB

english, 1991

11

Homology Modeling of the Serotonin Transporter: Insights into the Primary Escitalopram-binding Site

Anne Marie Jørgensen, Lena Tagmose, Anne Marie M. Jørgensen, Sid Topiol, Michael Sabio, Klaus Gundertofte, Klaus P. Bøgesø, Günther H. Peters

Journal:

Year:

2007

Language:

english

File:

PDF, 1.32 MB

english, 2007

12

Electron density redistribution in the stabilization of a molecular stacking complex: The nature and correction of basis set superposition errors

Roman Osman, Sid Topiol, Harel Weinstein

Journal:

Journal of Computational Chemistry

Year:

1981

Language:

english

File:

PDF, 693 KB

english, 1981

13

Computational schemes for modeling proton transfer in biological systems: Calculations on the hydrogen bonded complex [CH3OH · H · NH3]+

S. Topiol, G. Mercier, R. Osman, H. Weinstein

Journal:

Journal of Computational Chemistry

Year:

1985

Language:

english

File:

PDF, 533 KB

english, 1985

14

Comparison of the use of the MNDO and MINDO/3 methods with ab initio methods to study tautomerism in histamine, 2- and 4-methylhistamine

Journal:

Journal of Computational Chemistry

Year:

1987

Language:

english

File:

PDF, 568 KB

english, 1987

15

3S- Versus 1s-type Gaussian primitives: Modifications of the 3-21G(*) basis set for the sulfur atom

Michael Sabio, Sid Topiol

Journal:

Journal of Computational Chemistry

Year:

1989

Language:

english

File:

PDF, 888 KB

english, 1989

16

A conformational analysis of 3′-azido-3′-deoxythymidine

Michael Sabio, Sid Topiol

Journal:

Journal of Computational Chemistry

Year:

1992

Language:

english

File:

PDF, 1.40 MB

english, 1992

17

Valence band and Zn 3d energy levels in Me2Zn from photoelectron spectra and pseudopotential ab initio calculations: electric field gradients in gas phase Zn compounds

G.Michael Bancroft, David K. Creber, Mark A. Ratner, Jules W. Moskowitz, Sid Topiol

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 471 KB

english, 1977

18

The use of pseudopotentials within local-density formalism calculations for atoms: Some results for the first row

Sid Topiol, Alex Zunger, M.A. Ratner

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 460 KB

english, 1977

19

Pseudopotential calculations: some electronic properties of zinc dichloride

Mark A. Ratner, Jules W. Moskowitz, Sid Topiol

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 433 KB

english, 1977

20

Angular momentum dependence of pseudopotentials: calculation of the potential curve for HF

Sid Topiol, Mark A. Ratner, Jules W. Moskowitz

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 338 KB

english, 1977

21

Theoretical studies of molecular complexes: a probe into basis set and correlation effects

Roman Osman, Sid Topiol, Harel Weinstein, James E. Eilers

Journal:

Chemical Physics Letters

Year:

1980

Language:

english

File:

PDF, 420 KB

english, 1980

22

A theoretical study of weak complexes of acetylene: An energy decomposition analysis

Sid Topiol, Anne-Marie Sapse, Jeffrey Bunce

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 273 KB

english, 1986

23

AB-initio electronic structure studies of mobility paths in fast-ion conductors. I. Results for MI-34 clusters

J.I. McOmber, S. Topiol, M.A. Ratner, D.F. Shriver, J.W. Moskowitz

Journal:

Solid State Communications

Year:

1980

Language:

english

File:

PDF, 236 KB

english, 1980

24

β-Methylsulfonylamino phenethylamines and aryloxypropylamines as potential β-adrenergic agents

Richard Goehring, William C. Lumma Jr., Paul W. Erhardt, Sidney Topiol, Michael Sabio, Jay Wiggins, Samuel Wong, Stanley Greenberg, David Pang, Elinor Cantor

Journal:

European Journal of Medicinal Chemistry

Year:

1987

Language:

english

File:

PDF, 389 KB

english, 1987

25

An investigation of the minimal requirements for H2-receptor agonists: a computational study of N-(3-aminopropyl)formamidine tautomerism

Michael Sabio, Sid Topiol

Journal:

European Journal of Medicinal Chemistry

Year:

1989

Language:

english

File:

PDF, 415 KB

english, 1989

26

Ab-initio calculation, using ab-initio pseudopotentials, of some electronic properties of ethane, methylsilane and disilane

Sid Topiol, Mark A. Ratner, Jules W. Moskowitz

Journal:

Chemical Physics

Year:

1977

Language:

english

File:

PDF, 562 KB

english, 1977

27

First-principles pseudopotential in the local-density-functional formalism

Alex Zunger, Sid Topiol, Mark A. Ratner

Journal:

Chemical Physics

Year:

1979

Language:

english

File:

PDF, 1.40 MB

english, 1979

28

Use of the X-ray structure of the β2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds

Michael Sabio, Kenneth Jones, Sid Topiol

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2008

Language:

english

File:

PDF, 509 KB

english, 2008

29

Design and synthesis of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives as novel melatonin receptor ligands

Guiying Li, Hao Zhou, Yu Jiang, Holger Keim, Sidney W. Topiol, Suresh B. Poda, Yong Ren, Gamini Chandrasena, Darío Doller

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 561 KB

english, 2011

30

Computational chemical studies of chiral stationary phase models : Complexes of methyl N-(2-naphthyl)alaninate with N-(3,5-dinitrobenzoyl)leucine n-propylamide

Sid Topiol, Michael Sabio

Journal:

Journal of Chromatography A

Year:

1989

Language:

english

File:

PDF, 559 KB

english, 1989

31

Threading with chemostructural restrictions method for predicting fold and functionally significant residues: Application to dipeptidylpeptidase IV (DPP-IV)

Boris Reva, Alexei Finkelstein, Sid Topiol

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2002

Language:

english

File:

PDF, 588 KB

english, 2002

32

Pseudopotential calculations. IV. Some results for zinc difluoride

Mark A. Ratner, Sid Topiol, J. W. Moskowitz

Journal:

International Journal of Quantum Chemistry

Year:

1977

Language:

english

File:

PDF, 342 KB

english, 1977

33

Effective core potential calculations for some hydrocarbons

Sid Topiol, John A. Pople

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 239 KB

english, 1978

34

Scaled single-zeta basis set for use with a silicon effective potential: Generalized valence bond description of disilane

Jules W. Moskowitz, Sid Topiol, Lawrence C. Snyder, Mark A. Ratner

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 330 KB

english, 1981

35

Molecular determinants for binding of methylenedioxytryptamines at 5-HT/LSD receptors

Patricia H. Reggio, Harel Weinstein, Roman Osman, Sid Topiol

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 611 KB

english, 1981

36

Theoretical studies on the activation mechanism of the histamine H2-receptor: The guanidine substitution and its role in the partial agonism of N(alpha)-guanylhistamine

Aleksander P. Mazurek, Sid Topiol, Harel Weinstein, Roman Osman

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 451 KB

english, 1983

37

Theoretical and experimental studies of drug–receptor interactions: Determinants for recognition of 5-hydroxytryptamine analogs

Aleksander P. Mazurek, Harel Weinstein, Roman Osman, Sid Topiol, Barbara Jones Ebersole

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 847 KB

english, 1984

38

Computational chemical studies of chiral stationary-phase models: The nature of the Pi interaction in complexes of methyl N-(2-naphthyl) alaninate with N-(3,5-dinitrobenzoyl)leucine n-propylamide

Michael Sabio, Sid Topiol

Journal:

International Journal of Quantum Chemistry

Year:

1989

Language:

english

File:

PDF, 282 KB

english, 1989

39

The computational design of test compounds with potentially specific biological activity: Histamine-H2agonists derived from 5-HT/H2antagonists

Sid Topiol, Michael Sabio

Journal:

Journal of Computer-Aided Molecular Design

Year:

1991

Language:

english

File:

PDF, 664 KB

english, 1991

40

Pseudopotential calculations using the FSGO method: Applications to first-row hydrides

S. Topiol, A. A. Frost, M. A. Ratner, J. W. Moskowitz, C. F. Melius

Journal:

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

Year:

1977

File:

PDF, 15 KB

1977

41

Pseudopotential calculations using the FSGO Method: Application to first-row hydrides

Sid Topiol, Arthur A. Frost, Mark A. Ratner, Jules W. Moskowitz, Carl F. Melins

Journal:

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

Year:

1977

Language:

english

File:

PDF, 314 KB

english, 1977

42

High resolution electron microscopy in association with interactive computing

Jeffrey J. Toman, Arthur A. Frost, Sid Topiol, Solomon Jacobson, Mark A. Ratner

Journal:

Journal of Materials Science

Year:

1984

Language:

english

File:

PDF, 528 KB

english, 1984

43

Pseudopotential calculations using the FSGO Method: Application to first-row hydrides

Sid Topiol, Arthur A. Frost, Mark A. Ratner, Jules W. Moskowitz, Carl F. Melins

Journal:

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

Year:

1977

Language:

english

File:

PDF, 314 KB

english, 1977

44

Pseudopotential calculations using the FSGO method: Applications to first-row hydrides

S. Topiol, A. A. Frost, M. A. Ratner, J. W. Moskowitz, C. F. Melius

Journal:

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

Year:

1977

File:

PDF, 15 KB

1977

45

Ab initioStudies, using the FSGO-pseudopotential method, of the electronic structure in group IV cluster molecules M(LH3)4; M, L = C, Si, Ge

Jeffrey J. Toman, Arthur A. Frost, Sid Topiol, Solomon Jacobson, Mark A. Ratner

Journal:

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

Year:

1981

Language:

english

File:

PDF, 528 KB

english, 1981

46

Bond angles in disiloxane: A pseudo-potential electronic structure study

C.A Ernst, A.L Allred, Mark A Ratner, M.D Newton, G.V Gibbs, J.W Moskowitz, Sid Topiol

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 399 KB

english, 1981

47

Ab-initio electronic structure studies of mobility paths in fast-ion conductors—I: Results for MI4−3 clusters

J.I. McOmber, S. Topiol, M.A. Ratner, D.F. Shriver, J.W. Moskowitz

Journal:

Journal of Physics and Chemistry of Solids

Year:

1980

Language:

english

File:

PDF, 796 KB

english, 1980

48

Driving Forces for Ligand Migration in the Leucine Transporter

Anne Marie Jørgensen, Sid Topiol

Journal:

Chemical Biology & Drug Design

Year:

2008

Language:

english

File:

PDF, 614 KB

english, 2008

49

An AB initio study of amino-sulfur compounds

Michael Sabio, Sid Topiol

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 1.27 MB

english, 1990

50

The computational design of amidines as H2-receptor agonists. The reduction of the amidine group basicity in N-methylformamidine analogues

Michael Sabio, Sid Topiol

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 1022 KB

english, 1993