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CNKI学位论文(11)
知网期刊论文(2)
在“
ACS电子期刊
”中,
命中:
54
条,耗时:小于0.01 秒
在所有数据库中总计命中:
13
条
1.
Coarse-Grained Simulations of Heme Proteins: Validation and Study of Large Conformational Transitions
作者:
Claudia L. Ramírez
;
Ariel Petruk
;
Mauro Bringas
;
Dario A. Estrin
;
Adrian
E.
Roitberg
;
Marcelo A. Marti
;
Luciana Capece
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
Interactively Applying the Variational Method to the Dihydrogen Molecule: Exploring Bonding and Antibonding
作者:
Vinícius Wilian D. Cruzeiro
;
Adrian
Roitberg
;
Nicolas C. Polfer
刊名:Journal of Chemical Education
出版年:2016
3.
Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency
作者:
Nathan E. Goldfarb
;
Meray Ohanessian
;
Shyamasri Biswas
;
T. Dwight McGee
;
Jr.
;
Brian P. Mahon
;
David A. Ostrov
;
Jose Garcia
;
Yan Tang
;
Robert McKenna
;
Adrian
Roitberg
;
Ben M. Dunn
刊名:Biochemistry
出版年:2015
4.
Interpretation of pH鈥揂ctivity Profiles for Acid鈥揃ase Catalysis from Molecular Simulations
作者:
Thakshila Dissanayake
;
Jason M. Swails
;
Michael E. Harris
;
Adrian
E.
Roitberg
;
Darrin M. York
刊名:Biochemistry
出版年:2015
5.
A QM/MM Free Energy Study of the Oxidation Mechanism of Dihydroorotate Dehydrogenase (Class 1A) from Lactococcus lactis
作者:
Jos茅 Rog茅rio A. Silva
;
Adrian
E.
Roitberg
;
Cl谩udio Nahum Alves
刊名:Journal of Physical Chemistry B
出版年:2015
6.
Dynamics of Energy Transfer in a Conjugated Dendrimer Driven by Ultrafast Localization of Excitations
作者:
Johan F. Galindo
;
Evrim Atas
;
Aysun Altan
;
Daniel G. Kuroda
;
Sebastian Fernandez-Alberti
;
Sergei Tretiak
;
Adrian
E.
Roitberg
;
Valeria D. Kleiman
刊名:Journal of the American Chemical Society
出版年:2015
7.
Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning
作者:
Chad W. Hopkins
;
Scott Le Grand
;
Ross C. Walker
;
Adrian
E.
Roitberg
刊名:Journal of Chemical Theory and Computation
出版年:2015
8.
Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation
作者:
Jason M. Swails
;
Darrin M. York
;
Adrian
E.
Roitberg
刊名:Journal of Chemical Theory and Computation
出版年:2014
9.
Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials
作者:
Tammie Nelson
;
Sebastian Fernandez-Alberti
;
Adrian
E.
Roitberg
;
Sergei Tretiak
刊名:Accounts of Chemical Research
出版年:2014
10.
Unraveling the Differences of the Hydrolytic Activity of Trypanosoma cruzi trans-Sialidase and Trypanosoma rangeli Sialidase: A Quantum Mechanics鈥揗olecular Mechanics Modeling Stud
作者:
Juan A. Bueren-Calabuig
;
Gustavo Pierdominici-Sottile
;
Adrian
E.
Roitberg
刊名:Journal of Physical Chemistry B
出版年:2014
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