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1

Assessing the impact of generative AI on medicinal chemistry

Walters, W. Patrick, Murcko, Mark

Journal:

Nature Biotechnology

Year:

2020

Language:

english

File:

PDF, 742 KB

english, 2020

2

What Do Medicinal Chemists Actually Make? A 50-Year Retrospective

Walters, W. Patrick, Green, Jeremy, Weiss, Jonathan R., Murcko, Mark A.

Journal:

Journal of Medicinal Chemistry

Year:

2011

Language:

english

File:

PDF, 4.35 MB

english, 2011

3

Prediction of ‘drug-likeness’

W.Patrick Walters, Mark A Murcko

Journal:

Advanced Drug Delivery Reviews

Year:

2002

Language:

english

File:

PDF, 473 KB

english, 2002

4

Crystal Structure of the Hepatitis C Virus NS3 Protease Domain Complexed with a Synthetic NS4A Cofactor Peptide

J.L Kim, K.A Morgenstern, C Lin, T Fox, M.D Dwyer, J.A Landro, S.P Chambers, W Markland, C.A Lepre, E.T O'Malley, S.L Harbeson, C.M Rice, M.A Murcko, P.R Caron, J.A Thomson

Journal:

Year:

1996

Language:

english

File:

PDF, 1.52 MB

english, 1996

5

The Properties of Known Drugs. 1. Molecular Frameworks

Bemis, Guy W., Murcko, Mark A.

Journal:

Journal of Medicinal Chemistry

Year:

1996

Language:

english

File:

PDF, 164 KB

english, 1996

6

Use of structural information in drug design

Navia, Manuel A., Murcko, Mark A.

Journal:

Current Opinion in Structural Biology

Year:

1992

Language:

english

File:

PDF, 927 KB

english, 1992

7

Janeʼs Mass Casualty Handbook

Journal:

Clinical Nurse Specialist

Year:

2004

Language:

english

File:

PDF, 69 KB

english, 2004

8

Clinicianʼs Pocket Reference, 10th ed.

Journal:

Clinical Nurse Specialist

Year:

2004

Language:

english

File:

PDF, 136 KB

english, 2004

9

Conformational analysis of HIV-1 protease inhibitors: 2. Thioproline P1? Residue in the potent inhibitor KNI-272

Murcko, Mark A., Rao, B. Govinda, Gomperts, Roberto

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 287 KB

english, 1997

10

ChemInform Abstract: Carbon-Carbon Rotational Barriers in Butane, 1-Butene, and 1,3- Butadiene

M. A. MURCKO, H. CASTEJON, K. B. WIBERG

Journal:

Year:

1997

File:

PDF, 23 KB

1997

11

ChemInform Abstract: Heats of Reduction of Carbonyl Compounds

K. B. WIBERG, M. A. MURCKO

Journal:

Year:

1997

File:

PDF, 23 KB

1997

12

ChemInform Abstract: Virtual Screening—An Overview

W. P. WALTERS, M. T. STAHL, M. A. MURCKO

Journal:

Year:

1998

File:

PDF, 24 KB

1998

13

ChemInform Abstract: Design, Syntheses, and Activity of New 3-[(Sulfonylaryl)-amino]-1,4-benzodiazepin-2-one Derivatives as α-Thrombin Inhibitors.

D. DUMAS, G. LECLERC, J. J. BALDWIN, S. D. LEWIS, M. MURCKO, A. M. NAYLOR-OLSEN

Journal:

Year:

1999

File:

PDF, 41 KB

1999

14

Nonbonded interactions. 1. Anisotropic hydrogen-hydrogen interactions

Kenneth B. Wiberg, Mark A Murcko

Journal:

Journal of Computational Chemistry

Year:

1987

Language:

english

File:

PDF, 632 KB

english, 1987

15

Barriers to rotation adjacent to double bonds. 4. Effect of basis set on structures, and of electron correlation on relative energies

Kenneth B. Wiberg, Mark A. Murcko

Journal:

Journal of Computational Chemistry

Year:

1988

Language:

english

File:

PDF, 553 KB

english, 1988

16

CONCEPTS: New dynamic algorithm for de novo drug suggestion

David A. Pearlman, Mark A. Murcko

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 960 KB

english, 1993

17

Conformational analysis of HIV protease inhibitors. I. Rotation of the amide group adjacent to the P′1 decahydroisoquinoline ring system in ro 31-8959 and related systems

Mark A. Murcko, B. Govinda Rao

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 719 KB

english, 1993

18

Reversed stereochemical preference in binding of Ro 31-8959 to HIV-1 proteinase: A free energy perturbation analysis

B. G. Rao, M. A. Murcko

Journal:

Journal of Computational Chemistry

Year:

1994

Language:

english

File:

PDF, 1.09 MB

english, 1994

19

GroupBuild: a fragment-based method for de novo drug design

SergioH. Rotstein, MarkA. Murcko

Journal:

Journal of Molecular Graphics

Year:

1994

Language:

english

File:

PDF, 139 KB

english, 1994

20

Inhibitors of hepatitis C virus NS3·4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics

Robert B. Perni, Gurudatt Chandorkar, Kevin M. Cottrell, Cynthia A. Gates, Chao Lin, Kai Lin, Yu-Ping Luong, John P. Maxwell, Mark A. Murcko, Janos Pitlik, Govinda Rao, Wayne C. Schairer, John Van Dri

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2007

Language:

english

File:

PDF, 323 KB

english, 2007

21

The synthesis and evaluation of peptidyl aspartyl aldehydes as inhibitors of ice.

Michael D. Mullican, David J. Lauffer, Roger J. Gillespie, Saroop S. Matharu, David Kay, Geoffrey M. Porritt, Phillip L. Evans, Julian M.C. Golec, Mark A. Murcko, Yu-Ping Luong, Scott A. Raybuck, Davi

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

1994

Language:

english

File:

PDF, 306 KB

english, 1994

22

Design, syntheses, and activity of new 3-[(sulfonylaryl)-amino]-1,4-benzodiazepin-2-one derivatives as α-thrombin inhibitors

Daniel Dumas, Gérard Leclerc, John J. Baldwin, S. Dale Lewis, Mark Murcko, Adel M. Naylor-Olsen

Journal:

European Journal of Medicinal Chemistry

Year:

1998

Language:

english

File:

PDF, 3.47 MB

english, 1998

23

Structure-based design of non-peptidic pyridone aldehydes as inhibitors of interleukin-1β converting enzyme

Julian M.C. Golec, Michael D. Mullican, Mark A. Murcko, Keith P. Wilson, David P. Kay, Stuart D. Jones, Robert Murdoch, Guy W. Bemis, Scott A. Raybuck, Yu-Ping Luong, David J. Livingston

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

1997

Language:

english

File:

PDF, 383 KB

english, 1997

24

The structural basis for the specificity of pyridinylimidazole inhibitors of p38 MAP kinase

Keith P. Wilson, Patricia G. McCaffrey, Kathy Hsiao, Sam Pazhanisamy, Vincent Galullo, Guy W. Bemis, Matthew J. Fitzgibbon, Paul R. Caron, Mark A. Murcko, Michael S.S. Su

Journal:

Chemistry & Biology

Year:

1997

Language:

english

File:

PDF, 5.12 MB

english, 1997

25

Chemogenomic approaches to drug discovery

Paul R Caron, Michael D Mullican, Robert D Mashal, Keith P Wilson, Michael S Su, Mark A Murcko

Journal:

Current Opinion in Chemical Biology

Year:

2001

Language:

english

File:

PDF, 73 KB

english, 2001

26

Recognizing molecules with drug-like properties

W Patrick Walters, Ajay A Murcko, Mark A Murcko

Journal:

Current Opinion in Chemical Biology

Year:

1999

Language:

english

File:

PDF, 544 KB

english, 1999

27

Calculation of solvation and binding free energy differences between VX-478 and its analogs by free energy perturbation and AMSOL methods

B. G. Rao, E. E. Kim, M. A. Murcko

Journal:

Journal of Computer-Aided Molecular Design

Year:

1996

Language:

english

File:

PDF, 1.05 MB

english, 1996

28

GenStar: A method for de novo drug design

Sergio H. Rotstein, Mark A. Murcko

Journal:

Journal of Computer-Aided Molecular Design

Year:

1993

Language:

english

File:

PDF, 4.32 MB

english, 1993

29

Conformational analysis of carbonic anhydrase inhibitors using ab initio molecular orbital methods. 1. Rotational isomerism in methane sulfonamide anion, CH3-SO2-NH−

Journal:

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

Year:

1997

Language:

english

File:

PDF, 283 KB

english, 1997

30

Alpha shock

Mark A. Murcko, W. Patrick Walters

Journal:

Journal of Computer-Aided Molecular Design

Year:

2012

Language:

english

File:

PDF, 170 KB

english, 2012

31

The SHAPES strategy: an NMR-based approach for lead generation in drug discovery

Jasna Fejzo, Christopher A Lepre, Jeffrey W Peng, Guy W Bemis, Ajay, Mark A Murcko, Jonathan M Moore

Journal:

Chemistry & Biology

Year:

1999

Language:

english

File:

PDF, 197 KB

english, 1999

32

Structure and mechanism of interleukin-lβ converting enzyme

Wilson, Keith P., Black, Jo-Anne F., Thomson, John A., Kim, Eunice E., Griffith, James P., Navia, Manuel A., Murcko, Mark A., Chambers, Stephen P., Aldape, Robert A., Raybuck, Scott A.

Journal:

Year:

1994

File:

PDF, 753 KB

1994

33

New isomeric classes of topically active ocular hypotensive carbonic anhydrase inhibitors: 5-substituted thieno[2,3-b]thiophene-2-sulfonamides and 5-substituted thieno[3,2-b]thiophene-2-sulfonamides

Prugh, John D., Hartman, George D., Mallorga, Pierre J., McKeever, Brian M., Michelson, Stuart R., Murcko, Mark A., Schwam, Harvey, Smith, Robert L., Sondey, John M.

Journal:

Journal of Medicinal Chemistry

Year:

1991

Language:

english

File:

PDF, 2.48 MB

english, 1991

34

Kinase-likeness and Kinase-Privileged Fragments: Toward Virtual Polypharmacology

Aronov, Alex M., McClain, Brian, Moody, Cameron Stuver, Murcko, Mark A.

Journal:

Journal of Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 1.66 MB

english, 2008

35

Getting physical to fix pharma

Connelly, Patrick R., Vuong, T. Minh, Murcko, Mark A.

Journal:

Nature Chemistry

Year:

2011

Language:

english

File:

PDF, 1.17 MB

english, 2011

36

Use of structural information in drug design

Manuel A Navia, Mark A Murcko

Journal:

Current Biology

Year:

1992

Language:

english

File:

PDF, 127 KB

english, 1992

37

Julia M. Goodfellow,Editors, ,Computer Modelling in Molecular Biology (1995) VCH 3 527 30062 7.

Journal:

Drug Discovery Today

Year:

1996

Language:

english

File:

PDF, 124 KB

english, 1996

38

Hugo Kubinyi,Editors, ,QSAR: Hansch Analysis and Related Approaches (1996) VCH (xii + 240 pages) ISBN 3 527 3035 X.

Journal:

Drug Discovery Today

Year:

1996

Language:

english

File:

PDF, 168 KB

english, 1996

39

Drug Discovery: aiming for the moon?

Journal:

Drug Discovery Today

Year:

2009

Language:

english

File:

PDF, 57 KB

english, 2009

40

Results of the Arizona Medicaid Health Information Technology Pharmacy Focus Groups

Terri L. Warholak, Anita Murcko, Megan McKee, Terry Urbine

Journal:

Research in Social and Administrative Pharmacy

Year:

2011

Language:

english

File:

PDF, 351 KB

english, 2011

41

Hepatitis C virus NS3 RNA helicase domain with a bound oligonucleotide: the crystal structure provides insights into the mode of unwinding

Joseph L Kim, Kurt A Morgenstern, James P Griffith, Maureen D Dwyer, John A Thomson, Mark A Murcko, Chao Lin, Paul R Caron

Journal:

Year:

1998

Language:

english

File:

PDF, 862 KB

english, 1998

42

Transforming the genome to drug discovery

Mark Murcko, Paul Caron

Journal:

Drug Discovery Today

Year:

2002

Language:

english

File:

PDF, 46 KB

english, 2002

43

Small-molecule mimetics

Journal:

Drug Discovery Today

Year:

1996

Language:

english

File:

PDF, 449 KB

english, 1996

44

Virtual screening—an overview

W.Patrick Walters, Matthew T Stahl, Mark A Murcko

Journal:

Drug Discovery Today

Year:

1998

Language:

english

File:

PDF, 353 KB

english, 1998

45

H-D. Höltje, G. Folkers, ,Molecular Modeling: Basic Principles and Applications (1996) VCH 194 DM 168, isbn ISBN 3 527 29384 1.

Journal:

Drug Discovery Today

Year:

1997

Language:

english

File:

PDF, 137 KB

english, 1997

46

Resistance drift in aluminum to gold ultrasonic wire bonds

Murcko, R.M., Susko, R.A., Lauffer, J.M.

Journal:

IEEE Transactions on Components Hybrids and Manufacturing Technology

Year:

1991

Language:

english

File:

PDF, 547 KB

english, 1991

47

Structure and Mechanism of Inosine Monophosphate Dehydrogenase in Complex with the Immunosuppressant Mycophenolic Acid

Michael D. Sintchak, Mark A. Fleming, Olga Futer, Scott A. Raybuck, Stephen P. Chambers, Paul R. Caron, Mark A. Murcko, Keith P. Wilson

Journal:

Year:

1996

Language:

english

File:

PDF, 582 KB

english, 1996

48

Mark Murcko discusses enabling technologies in drug discovery

Journal:

Drug Discovery Today: BIOSILICO

Year:

2004

Language:

english

File:

PDF, 55 KB

english, 2004

49

Toward a Pharmacophore for Kinase Frequent Hitters

Aronov, Alex M., Murcko, Mark A.

Journal:

Journal of Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 198 KB

english, 2004

50

Properties of Known Drugs. 2. Side Chains

Bemis, Guy W., Murcko, Mark A.

Journal:

Journal of Medicinal Chemistry

Year:

1999

Language:

english

File:

PDF, 151 KB

english, 1999

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