Gregory A. Landrum: search on Z-Library

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1

TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME Workflows

Sydow, Dominique, Wichmann, Michele, Rodríguez-Guerra, Jaime, Goldmann, Daria, Landrum, Gregory, Volkamer, Andrea

Journal:

Journal of Chemical Information and Modeling

Year:

2019

Language:

english

File:

PDF, 3.58 MB

english, 2019

2

KNIME for reproducible cross-domain analysis of life science data

Fillbrunn, Alexander, Dietz, Christian, Pfeuffer, Julianus, Rahn, René, Landrum, Gregory A., Berthold, Michael R.

Journal:

Journal of Biotechnology

Year:

2017

Language:

english

File:

PDF, 775 KB

english, 2017

3

Bringing the MMFF force field to the RDKit: implementation and validation

Paolo Tosco,Nikolaus Stiefl,Gregory Landrum

Journal:

Journal of Cheminformatics

Year:

2014

Language:

english

File:

PDF, 194 KB

english, 2014

4

Better Informed Distance Geometry: Using What We Know to Improve Conformation Generation

Riniker, Sereina, Landrum, Gregory

Journal:

Journal of Chemical Information and Modeling

Year:

2015

Language:

english

File:

PDF, 3.78 MB

english, 2015

5

Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists’ Bread and Butter

Schneider, Nadine, Lowe, Daniel M., Sayle, Roger A., Tarselli, Michael A, Landrum, Gregory A.

Journal:

Journal of Medicinal Chemistry

Year:

2016

Language:

english

File:

PDF, 3.12 MB

english, 2016

6

The Orbital Origins of Magnetism: From Atoms to Molecules to Ferromagnetic Alloys

Gregory A. Landrum, Richard Dronskowski

Journal:

Angewandte Chemie International Edition

Year:

2000

Language:

english

File:

PDF, 1001 KB

english, 2000

7

Structure, Chemical Bonding, and Properties of ZrIn2, IrIn2, and Ti3Rh2In3

Markus F. Zumdick, Gregory A. Landrum, Richard Dronskowski, Rolf-Dieter Hoffmann, Rainer Pöttgen

Journal:

Journal of Solid State Chemistry

Year:

2000

Language:

english

File:

PDF, 691 KB

english, 2000

8

Bonding in the trihalides (X3−), mixed trihalides (X2Y−) and hydrogen bihalides (X2H−). The connection between hypervalent, electron-rich three-center, donor–acceptor and strong hydrogen bonding ‡

Landrum, Gregory A., Goldberg, Norman, Hoffmann, Roald

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1997

Language:

english

File:

PDF, 166 KB

english, 1997

9

Open-source platform to benchmark fingerprints for ligand-based virtual screening

Riniker, Sereina, Landrum, Gregory A

Journal:

Journal of Cheminformatics

Year:

2013

Language:

english

File:

PDF, 807 KB

english, 2013

10

Interpersonal behavior of depressive individuals in a mixed-motive game.

Hokanson, Jack E., Sacco, William P., Blumberg, Stephen R., Landrum, Gregory C.

Journal:

Journal of Abnormal Psychology

Year:

1980

Language:

english

File:

PDF, 1.05 MB

english, 1980

11

The TiNiSi Family of Compounds: Structure and Bonding

Landrum, Gregory A., Hoffmann, Roald, Evers, Jürgen, Boysen, Hans

Journal:

Inorganic Chemistry

Year:

1998

Language:

english

File:

PDF, 418 KB

english, 1998

12

Get Your Atoms in Order—An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm

Schneider, Nadine, Sayle, Roger A., Landrum, Gregory A.

Journal:

Journal of Chemical Information and Modeling

Year:

2015

Language:

english

File:

PDF, 2.60 MB

english, 2015

13

Chemical topic modeling: Exploring molecular datasets using a common text-mining approach

Schneider, Nadine, Fechner, Nikolas, Landrum, Gregory A., Stiefl, Nikolaus

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 4.76 MB

english, 2017

14

rdScaffoldNetwork: the scaffold network implementation in RDKit

Kruger, Franziska, Stiefl, Nikolaus, Landrum, Gregory A.

Journal:

Journal of Chemical Information and Modeling

Year:

2020

File:

PDF, 154 KB

2020

15

Synthesis, Structure, Chemical Bonding, and Properties of CaTIn2 (T = Pd, Pt, Au)

Rolf-Dieter Hoffmann, Rainer Pöttgen, Gregory A. Landrum, Richard Dronskowski, Bernd Künnen, Gunter Kotzyba

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

1999

Language:

english

File:

PDF, 260 KB

english, 1999

16

Sekundäre Bindungen zwischen Halogenen und Chalkogenen oder Pnicogenen

Gregory A. Landrum, Roald Hoffmann

Journal:

Angewandte Chemie

Year:

1998

Language:

german

File:

PDF, 126 KB

german, 1998

17

Ferromagnetismus von Übergangsmetallen aus Sicht der chemischen Bindung

Gregory A. Landrum, Richard Dronskowski

Journal:

Angewandte Chemie

Year:

1999

Language:

german

File:

PDF, 170 KB

german, 1999

18

Orbitale als Ausgangspunkt des Magnetismus: von Atomen über Moleküle zu ferromagnetischen Legierungen

Gregory A. Landrum, Richard Dronskowski

Journal:

Angewandte Chemie

Year:

2000

Language:

german

File:

PDF, 1.00 MB

german, 2000

19

Electronic Structure and Bonding in Cerium (Nitride) Compounds: Trivalent versus Tetravalent Cerium

Gregory A. Landrum, Richard Dronskowski, Rainer Niewa, Francis J. DiSalvo

Journal:

Chemistry - A European Journal

Year:

1999

Language:

english

File:

PDF, 342 KB

english, 1999

20

Secondary Bonding between Chalcogens or Pnicogens and Halogens

Gregory A. Landrum, Roald Hoffmann

Journal:

Angewandte Chemie International Edition

Year:

1998

Language:

english

File:

PDF, 135 KB

english, 1998

21

Ferromagnetism in Transition Metals: A Chemical Bonding Approach

Gregory A. Landrum, Richard Dronskowski

Journal:

Angewandte Chemie International Edition

Year:

1999

Language:

english

File:

PDF, 172 KB

english, 1999

22

Structural and Electronic Peierls Distortions in the Elements (B): The Antiferromagnetism of Chromium

Andrea Decker, Gregory A. Landrum, Richard Dronskowski

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2002

Language:

english

File:

PDF, 279 KB

english, 2002

23

Structural and Electronic Peierls Distortions in the Elements (A): The Crystal Structure of Tellurium

Andrea Decker, Gregory A. Landrum, Richard Dronskowski

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2002

Language:

english

File:

PDF, 279 KB

english, 2002

24

Replik

Gregory A. Landrum, Richard Dronskowski

Journal:

Angewandte Chemie

Year:

2000

Language:

german

File:

PDF, 96 KB

german, 2000

25

Reply

Gregory A. Landrum, Richard Dronskowski

Journal:

Angewandte Chemie International Edition

Year:

2000

Language:

english

File:

PDF, 51 KB

english, 2000

26

The Electronic Structure of [Te15Br4][MoOBr4]2 and Some General Aspects of Bonding in “Classical” and Hypervalent Tellurium Halides

Gregory A. Landrum, Norman Goldberg, Roald Hoffmann

Journal:

European Journal of Inorganic Chemistry

Year:

1997

Language:

english

File:

PDF, 767 KB

english, 1997

27

ChemInform Abstract: Synthesis, Structure, Chemical Bonding, and Properties of CaMIn2 (M: Pd, Pt, Au).

Rolf-Dieter Hoffmann, Rainer Poettgen, Gregory A. Landrum, Richard Dronskowski, Bernd Kuennen, Gunter Kotzyba

Journal:

Year:

1999

File:

PDF, 29 KB

1999

28

ChemInform Abstract: Ferromagnetism in Transition Metals: A Chemical Bonding Approach.

Gregory A. Landrum, Richard Dronskowski

Journal:

Year:

1999

File:

PDF, 23 KB

1999

29

ChemInform Abstract: The Orbital Origins of Magnetism: From Atoms to Molecules to Ferromagnetic Alloys

Gregory A. Landrum, Richard Dronskowski

Journal:

Year:

2000

File:

PDF, 24 KB

2000

30

ChemInform Abstract: Structural and Electronic Peierls Distortions in the Elements. Part 1. The Crystal Structure of Tellurium.

Andrea Decker, Gregory A. Landrum, Richard Dronskowski

Journal:

Year:

2002

File:

PDF, 23 KB

2002

31

ChemInform Abstract: Structural and Electronic Peierls Distortions in the Elements. Part 2. The Antiferromagnetism of Chromium.

Andrea Decker, Gregory A. Landrum, Richard Dronskowski

Journal:

Year:

2002

File:

PDF, 23 KB

2002

32

Pyrazole derived from (+)-3-carene; a novel potent, selective scaffold for sphingosine-1-phosphate (S1P1) receptor agonists

Frédéric J. Zécri, Rainer Albert, Gregory Landrum, Klaus Hinterding, Nigel G. Cooke, Danilo Guerini, Markus Streiff, Christian Bruns, Barbara Nuesslein-Hildesheim

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1011 KB

english, 2010

33

19F NMR chemical shift prediction with fluorine fingerprint descriptor

Anna Vulpetti, Gregory Landrum, Simon Rüdisser, Paulus Erbel, Claudio Dalvit

Journal:

Journal of Fluorine Chemistry

Year:

2010

Language:

english

File:

PDF, 402 KB

english, 2010

34

Application of machine-learning methods to solid-state chemistry: ferromagnetism in transition metal alloys

Gregory A Landrum, Hugh Genin

Journal:

Journal of Solid State Chemistry

Year:

2003

Language:

english

File:

PDF, 153 KB

english, 2003

35

Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma

Gregory Landrum, Richard Lewis, Andrew Palmer, Nikolaus Stiefl, Anna Vulpetti

Journal:

Journal of Cheminformatics

Year:

2011

Language:

english

File:

PDF, 163 KB

english, 2011

36

Feature-map vectors: a new class of informative descriptors for computational drug discovery

Gregory A. Landrum, Julie E. Penzotti, Santosh Putta

Journal:

Journal of Computer-Aided Molecular Design

Year:

2006

Language:

english

File:

PDF, 530 KB

english, 2006

37

Intermolecular interactions between hypervalent molecules: Ph2IX and XF3 (X=Cl, Br, I) dimers

Landrum, Gregory A., Goldberg, Norman, Hoffmann, Roald, Minyaev, Ruslan M.

Journal:

New Journal of Chemistry

Year:

1998

Language:

english

File:

PDF, 331 KB

english, 1998

38

Effects of proposed physical ballast tank treatments on aquatic invertebrate resting eggs

David F. Raikow, David F. Reid, Ernest R. Blatchley III, Gregory Jacobs, Peter F. Landrum

Journal:

Environmental Toxicology and Chemistry

Year:

2007

Language:

english

File:

PDF, 126 KB

english, 2007

39

Design and NMR-Based Screening of LEF, a Library of Chemical Fragments with Different Local Environment of Fluorine

Vulpetti, Anna, Hommel, Ulrich, Landrum, Gregory, Lewis, Richard, Dalvit, Claudio

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 575 KB

english, 2009

40

ACC/AHA Clinical Performance Measures for Adults With ST-Elevation and Non–ST-Elevation Myocardial Infarction: A Report of the American College of Cardiology/American Heart Association Task Force on Performance Measures (Writing Committee to Develop Performance Measures on ST-Elevation and Non–ST-Elevation Myocardial Infarction)

Harlan M. Krumholz, Jeffrey L. Anderson, Neil H. Brooks, Francis M. Fesmire, Costas T. Lambrew, Mary Beth Landrum, W. Douglas Weaver, John Whyte, Robert O. Bonow, Susan J. Bennett, Gregory Burke, Kim

Journal:

Journal of the American College of Cardiology

Year:

2006

Language:

english

File:

PDF, 392 KB

english, 2006

41

MultiMCS: A Fast Algorithm for the Maximum Common Substructure Problem on Multiple Molecules

Hariharan, Ramesh, Janakiraman, Anand, Nilakantan, Ramaswamy, Singh, Bhupender, Varghese, Sajith, Landrum, Gregory, Schuffenhauer, Ansgar

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 1.67 MB

english, 2011

42

Is that a scientific publication or an advertisement? Reproducibility, source code and data in the computational chemistry literature

Landrum, Gregory A, Stiefl, Nikolaus

Journal:

Future Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 721 KB

english, 2012

43

Synthesis and Solid State Chemistry of CH 3 BiI 2 : A Structure with an Extended One-Dimensional Organometallic Framework

Wang, Shumin, Mitzi, David B., Landrum, Gregory A., Genin, Hugh, Hoffmann, Roald

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 431 KB

english, 1997

44

Get your chemistry right with KNIME

Thorsten Meinl, Gregory Landrum

Journal:

Journal of Cheminformatics

Year:

2013

Language:

english

File:

PDF, 66 KB

english, 2013

45

Reproducibility in cheminformatics and computational chemistry research: certainly we can do better than this

Gregory A Landrum

Journal:

Journal of Cheminformatics

Year:

2013

Language:

english

File:

PDF, 71 KB

english, 2013

46

Heterogeneous Classifier Fusion for Ligand-Based Virtual Screening: Or, How Decision Making by Committee Can Be a Good Thing

Riniker, Sereina, Fechner, Nikolas, Landrum, Gregory A.

Journal:

Journal of Chemical Information and Modeling

Year:

2013

Language:

english

File:

PDF, 2.04 MB

english, 2013

47

Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods

Riniker, Sereina, Landrum, Gregory A

Journal:

Journal of Cheminformatics

Year:

2013

Language:

english

File:

PDF, 746 KB

english, 2013

48

Machine-learning models for combinatorial catalyst discovery

Landrum, Gregory A, Penzotti, Julie E, Putta, Santosh

Journal:

Measurement Science and Technology

Year:

2005

Language:

english

File:

PDF, 170 KB

english, 2005

49

Conformation Mining: An Algorithm for Finding Biologically Relevant Conformations

Putta, Santosh, Landrum, Gregory A., Penzotti, Julie E.

Journal:

Journal of Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 265 KB

english, 2005

50

The Four-Connected Net in the CeCu 2 Structure and Its Ternary Derivatives. Its Electronic and Structural Properties

Nuspl, Gerhard, Polborn, Kurt, Evers, Jürgen, Landrum, Gregory A., Hoffmann, Roald

Journal:

Inorganic Chemistry

Year:

1996

Language:

english

File:

PDF, 1.30 MB

english, 1996