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SpringerLink电子期刊(3)
GSW全文库(1)
Elsevier电子期刊(12)
ACS电子期刊(12)
在“
ACS电子期刊
”中,
命中:
12
条,耗时:小于0.01 秒
在所有数据库中总计命中:
28
条
1.
Pyrido[4,3-e][1,2,4]triazolo[4,3-a]pyrazines as Selective, Brain Penetrant Phosphodiesterase 2 (PDE2) Inhibitors
作者:
Frederik J. R. Rombouts
;
Gary Tresadern
;
Peter Buijnsters
;
Xavier Langlois
;
Fulgencio Tovar
;
Thomas
B.
Steinbrecher
;
Greet Vanhoof
;
Marijke Somers
;
Jos茅-Ignacio Andr茅s
;
Andr茅s A. Trabanco
刊名:ACS Medicinal Chemistry Letters
出版年:2015
2.
Accurate Binding Free Energy Predictions in Fragment Optimization
作者:
Thomas
B.
Steinbrecher
;
Markus Dahlgren
;
Daniel Cappel
;
Teng Lin
;
Lingle Wang
;
Goran Krilov
;
Robert Abel
;
Richard Friesner
;
Woody Sherman
刊名:Journal of Chemical Information and Modeling
出版年:2015
3.
A Comprehensive Computational Study of the Interaction between Human Serum Albumin and Fullerenes
作者:
Georgios Leonis
;
Aggelos Avramopoulos
;
Konstantinos D. Papavasileiou
;
Heribert Reis
;
Thomas
Steinbrecher
;
Manthos G. Papadopoulos
刊名:Journal of Physical Chemistry B
出版年:2015
4.
Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field
作者:
Lingle Wang
;
Yujie Wu
;
Yuqing Deng
;
Byungchan Kim
;
Levi Pierce
;
Goran Krilov
;
Dmitry Lupyan
;
Shaughnessy Robinson
;
Markus K. Dahlgren
;
Jeremy Greenwood
;
Donna L. Romero
;
Craig Masse
;
Jennifer L. Knight
;
Thomas
Steinbrecher
;
Thijs Beuming
;
Wolfgang Damm
;
Ed Harder
;
Woody Sherman
;
Mark Brewer
;
Ron Wester
;
Mark Murcko
;
Leah Frye
;
Ramy Farid
;
Teng Lin
;
David L. Mobley
;
William L. Jorgensen
;
Bruce J. Berne
;
Richard A. Friesner
;
Robert Abel
刊名:Journal of the American Chemical Society
出版年:2015
5.
Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals
作者:
Alexander Heck
;
P. Benjamin Woiczikowski
;
Tom谩拧 Kuba艡
;
Kai Welke
;
Thomas
Niehaus
;
Bernd Giese
;
Spiros Skourtis
;
Marcus Elstner
;
Thomas
B.
Steinbrecher
刊名:Journal of Physical Chemistry B
出版年:2014
6.
Charge Transfer in E. coli DNA Photolyase: Understanding Polarization and Stabilization Effects via QM/MM Simulations
作者:
Gesa L眉demann
;
P. Benjamin Woiczikowski
;
Tom谩拧 Kuba艡
;
Marcus Elstner
;
Thomas
B.
Steinbrecher
刊名:Journal of Physical Chemistry B
出版年:2013
7.
A Contribution to the Drug Resistance Mechanism of Darunavir, Amprenavir, Indinavir, and Saquinavir Complexes with HIV-1 Protease Due to Flap Mutation I50V: A Systematic MM鈥揚BSA and Thermodynamic Inte
作者:
Georgios Leonis
;
Thomas
Steinbrecher
;
Manthos G. Papadopoulos
刊名:Journal of Chemical Information and Modeling
出版年:2013
8.
Binding of Hydroxyquinoline Probes to Human Serum Albumin: Combining Molecular Modeling and F枚rster鈥檚 Resonance Energy Transfer Spectroscopy to Understand Flexible Ligand Binding
作者:
Osama K. Abou-Zied
;
Najla Al-Lawatia
;
Marcus Elstner
;
Thomas
B.
Steinbrecher
刊名:The Journal of Physical Chemistry B
出版年:2013
9.
Charge Transfer in Model Peptides: Obtaining Marcus Parameters from Molecular Simulation
作者:
Alexander Heck
;
P. Benjamin Woiczikowski
;
Tom谩拧 Kuba艡
;
Bernd Giese
;
Marcus Elstner
;
Thomas
B.
Steinbrecher
刊名:The Journal of Physical Chemistry B
出版年:2012
10.
Tautomerism in 7-Hydroxyquinoline: A Combined Experimental and Theoretical Study in Water
作者:
Najla Al-Lawatia
;
John Husband
;
Thomas
Steinbrecher
;
Osama K. Abou-Zied
刊名:Journal of Physical Chemistry A
出版年:2011
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