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1 . Academic Journal
Correction: Systematic Validation of Protein Force Fields against Experimental Data.
저자
by
Kresten Lindorff-Larsen
;
Paul Maragakis
;
Stefano Piana
;
Michael P. Eastwood
;
Ron O. Dror
, et al.
소스
PLoS ONE, Vol 8, Iss 4 (2013)
Open Access (DOAJ)
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7 . Academic Journal
Systematic validation of protein force fields against experimental data.
저자
by
Kresten Lindorff-Larsen
;
Paul Maragakis
;
Stefano Piana
;
Michael P Eastwood
;
Ron O Dror
, et al.
소스
PLoS ONE, Vol 7, Iss 2, p e32131 (2012)
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7 .
Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography
저자
by
Jack B. Greisman
;
Lindsay Willmore
;
Christine Y. Yeh
;
Fabrizio Giordanetto
;
Sahar Shahamadtar
, et al.
소스
Journal of Chemical Information and Modeling
. 63:2644-2650
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7 .
Discovery and validation of the binding poses of allosteric fragment hits to PTP1b: From molecular dynamics simulations to X-ray crystallography
저자
by
Jack B. Greisman
;
Lindsay Willmore
;
Christine Y. Yeh
;
Fabrizio Giordanetto
;
Sahar Shahamadtar
, et al.
소스
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7 .
A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery
저자
by
Paul Maragakis
;
Brian Cole
;
David E. Shaw
;
Hunter M. Nisonoff
.
소스
Journal of Chemical Information and Modeling
. 60:4487-4496
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6 .
Abstract 3327: Discovery and characterization of the potent, allosteric SHP2 inhibitor GDC-1971 for the treatment of RTK/RAS driven tumors
저자
by
Bret Williams
;
Alexander Taylor
;
Olivia Orozco
;
Christopher Owen
;
Elizabeth Kelley
, et al.
소스
Cancer Research
. 82:3327-3327
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7 . Academic Journal
Gaussian-Mixture Umbrella Sampling.
저자
by
Paul Maragakis
;
Arjan van der Vaart
;
Martin Karplus
.
소스
Journal of Physical Chemistry B
. Apr2009, Vol. 113 Issue 14, p4664-4673. 10p.
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5 . Academic Journal
A Differential Fluctuation Theorem.
저자
by
Paul Maragakis
;
Martin Spichty
;
Martin Karplus
.
소스
Journal of Physical Chemistry B
. May2008, Vol. 112 Issue 19, p6168-6174. 7p.
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5 . Academic Journal
Microsecond Molecular Dynamics Simulation Shows Effect of Slow Loop Dynamics on Backbone Amide Order Parameters of Proteins.
저자
by
Paul Maragakis
;
Kresten Lindorff-Larsen
;
Michael P. Eastwood
;
Ron O. Dror
;
John L. Klepeis
, et al.
소스
Journal of Physical Chemistry B
. May2008, Vol. 112 Issue 19, p6155-6158. 4p.
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7 . Academic Journal
Determination of DNA-Base Orientation on Carbon Nanotubes through Directional Optical Absorbance.
저자
by
Sheng Meng
;
Wei L. Wang
;
Paul Maragakis
;
Efthimios Kaxiras
.
소스
Nano Letters
. Aug2007, Vol. 7 Issue 8, p2312-2316. 5p.
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