Works matching IS 0920654X AND DT 2012 AND VI 26 AND IP 1

Results: 33

Computational chemistry in pharmaceutical research: at the crossroads.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 11, doi. 10.1007/s10822-011-9488-z

By:

Bajorath, Jürgen

Publication type:

Article

The Journal of Computer- Aided Molecular Design: a bibliometric note.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 153, doi. 10.1007/s10822-011-9492-3

By:

Willett, Peter

Publication type:

Article

Gazing into the crystal ball; the future of computer-aided drug design.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 77, doi. 10.1007/s10822-011-9487-0

By:

Martin, Eric;
Ertl, Peter;
Hunt, Peter;
Duca, Jose;
Lewis, Richard

Publication type:

Article

Is there a future for computational chemistry in drug research?

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 87, doi. 10.1007/s10822-011-9493-2

By:

Maggiora, Gerald

Publication type:

Article

Let's get honest about sampling.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 93, doi. 10.1007/s10822-011-9497-y

By:

Mobley, David

Publication type:

Article

Designing the molecular future.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 115, doi. 10.1007/s10822-011-9485-2

By:

Schneider, Gisbert

Publication type:

Article

The inevitable QSAR renaissance.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 35, doi. 10.1007/s10822-011-9495-0

By:

Cramer, Richard

Publication type:

Article

If we designed airplanes like we design drugs...

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 159, doi. 10.1007/s10822-011-9490-5

By:

Woltosz, Walter

Publication type:

Article

Darwinian Docking.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 73, doi. 10.1007/s10822-011-9503-4

By:

Kuntz, Irwin

Publication type:

Article

Molecular simulation methods in drug discovery: a prospective outlook.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 81, doi. 10.1007/s10822-011-9506-1

By:

Barril, Xavier;
Javier Luque, F.

Publication type:

Article

Silver threads.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 151, doi. 10.1007/s10822-011-9502-5

By:

Warr, Wendy

Publication type:

Article

Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 29, doi. 10.1007/s10822-011-9504-3

By:

Clark, Robert;
Waldman, Marvin

Publication type:

Article

A very short history of structure-based design: how did we get here and where do we need to go?

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 13, doi. 10.1007/s10822-011-9518-x

By:

Blaney, Jeff

Publication type:

Article

Can we really do computer-aided drug design?

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 121, doi. 10.1007/s10822-011-9512-3

By:

Segall, Matthew

Publication type:

Article

Computation, experiment and molecular design.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 69, doi. 10.1007/s10822-011-9515-0

By:

Kenny, Peter

Publication type:

Article

The perspectives of computational chemistry modeling.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 135, doi. 10.1007/s10822-011-9513-2

By:

Tetko, Igor

Publication type:

Article

Some thoughts on the 'A' in computer-aided molecular design.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 113, doi. 10.1007/s10822-011-9507-0

By:

Rarey, Matthias

Publication type:

Article

Computational chemistry and cheminformatics: an essay on the future.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 47, doi. 10.1007/s10822-011-9501-6

By:

Glen, Robert

Publication type:

Article

Computational chemistry in 25 years.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 9, doi. 10.1007/s10822-011-9516-z

By:

Abagyan, Ruben

Publication type:

Article

Computer-aided molecular design under the SWOTlight.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 51, doi. 10.1007/s10822-011-9514-1

By:

Green, Darren;
Leach, Andrew;
Head, Martha

Publication type:

Article

The character of molecular modeling.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 103, doi. 10.1007/s10822-011-9520-3

By:

Nicholls, Anthony

Publication type:

Article

The future of molecular dynamics simulations in drug discovery.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 15, doi. 10.1007/s10822-011-9517-y

By:

Borhani, David;
Shaw, David

Publication type:

Article

Does your model weigh the same as a Duck?

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 57, doi. 10.1007/s10822-011-9530-1

By:

Jain, Ajay;
Cleves, Ann

Publication type:

Article

Reflections on the past 25 years.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 45, doi. 10.1007/s10822-011-9510-5

By:

Gago, Federico

Publication type:

Article

Frozen out: molecular modeling in the age of cryocrystallography.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 91, doi. 10.1007/s10822-011-9537-7

By:

Martin, Yvonne;
Muchmore, Steven

Publication type:

Article

The great descriptor melting pot: mixing descriptors for the common good of QSAR models.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 39, doi. 10.1007/s10822-011-9511-4

By:

Tseng, Yufeng;
Hopfinger, Anton;
Esposito, Emilio

Publication type:

Article

Democratization of computational chemistry and Chem(o)informatics.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 27, doi. 10.1007/s10822-011-9491-4

By:

Brown, Frank

Publication type:

Article

Of possible cheminformatics futures.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 107, doi. 10.1007/s10822-011-9535-9

By:

Oprea, Tudor;
Taboureau, Olivier;
Bologa, Cristian

Publication type:

Article

Limiting assumptions in structure-based design: binding entropy.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 3, doi. 10.1007/s10822-011-9494-1

By:

Marshall, Garland

Publication type:

Article

Alpha shock.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 97, doi. 10.1007/s10822-011-9532-z

By:

Murcko, Mark;
Patrick Walters, W.

Publication type:

Article

The errors of our ways: taking account of error in computer-aided drug design to build confidence intervals for our next 25 years.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 125, doi. 10.1007/s10822-012-9541-6

By:

Stouch, Terry

Publication type:

Article

Looking forward into the next 25 years: the 25th anniversary issue of the Journal of Computer-Aided Molecular Design.

Published in:

2012

By:

Stouch, Terry

Publication type:

Editorial

Drug design for ever, from hype to hope.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 137, doi. 10.1007/s10822-011-9519-9

By:

Seddon, G.;
Lounnas, V.;
McGuire, R.;
den Bergh, T.;
Bywater, R.;
Oliveira, L.;
Vriend, G.

Publication type:

Article