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Wiley电子期刊(2)
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ACS电子期刊(126)
SpringerLink电子期刊(11)
Elsevier电子期刊(49)
在“
ACS电子期刊
”中,
命中:
126
条,耗时:小于0.01 秒
在所有数据库中总计命中:
189
条
1.
An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches
作者:
Jing Huang
;
Ye Mei
;
Gerhard König
;
Andrew C. Simmonett
;
Frank C. Pickard IV
;
Qin WuLee-Ping Wang
;
Alexander
D.
MacKerell
Jr.Bernard R. Brooks
;
Yihan Shao
刊名:Journal of Chemical Theory and Computation
出版年:2017
2.
An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications
作者:
Justin A. Lemkul
;
Jing Huang
;
Benoît Roux
;
Alexander
D.
MacKerell
Jr.
刊名:Chemical Reviews
出版年:2016
3.
Iminoguanidines as Allosteric Inhibitors of the Iron-Regulated Heme Oxygenase (HemO) of Pseudomonas aeruginosa
作者:
Geoffrey A. Heinzl
;
Weiliang Huang
;
Wenbo Yu
;
Bennett J. Giardina
;
Yue Zhou
;
Alexander
D.
MacKerell
Jr.
;
Angela Wilks
;
Fengtian Xue
刊名:Journal of Medicinal Chemistry
出版年:2016
4.
Structure of Penta-Alanine Investigated by Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation
作者:
Yuan Feng
;
Jing Huang
;
Seongheun Kim
;
Ji Hyun Shim
;
Alexander
D.
MacKerell
Jr.
;
Nien-Hui Ge
刊名:Journal of Physical Chemistry B
出版年:2016
5.
Ribosome-Templated Azide–Alkyne Cycloadditions: Synthesis of Potent Macrolide Antibiotics by In Situ Click Chemistry
作者:
Ian Glassford
;
Christiana N. Teijaro
;
Samer S. Daher
;
Amy Weil
;
Meagan C. Small
;
Shiv K. Redhu
;
Dennis J. Colussi
;
Marlene A. Jacobson
;
Wayne E. Childers
;
Bettina Buttaro
;
Allen W. Nicholson
;
Alexander
D.
MacKerell
Jr.
;
Barry S. Cooperman
;
Rodrigo B. Andrade
刊名:Journal of the American Chemical Society
出版年:2016
6.
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
作者:
Jumin Lee
;
Xi Cheng
;
Jason M. Swails
;
Min Sun Yeom
;
Peter K. Eastman
;
Justin A. Lemkul
;
Shuai Wei
;
Joshua Buckner
;
Jong Cheol Jeong
;
Yifei Qi
;
Sunhwan Jo
;
Vijay S. Pande
;
David A. Case
;
Charles L. Brooks III
;
Alexander
D.
MacKerell
Jr.
;
Jeffery B. Klauda
;
Wonpil Im
刊名:Journal of Chemical Theory and Computation
出版年:2016
7.
Small Molecule Inhibitors of Ca2+-S100B Reveal Two Protein Conformations
作者:
Michael C. Cavalier
;
Mohd. Imran Ansari
;
Adam D. Pierce
;
Paul T. Wilder
;
Laura E. McKnight
;
E. Prabhu Raman
;
David B. Neau
;
Padmavani Bezawada
;
Milad J. Alasady
;
Thomas H. Charpentier
;
Kristen M. Varney
;
Eric A. Toth
;
Alexander
D.
MacKerell
Jr.
;
Andrew Coop
;
David J. Weber
刊名:Journal of Medicinal Chemistry
出版年:2016
8.
Improving the Force Field Description of Tyrosine–Choline Cation−π Interactions: QM Investigation of Phenol–N(Me)4+ Interactions
作者:
Hanif M. Khan
;
Cédric Grauffel
;
Ria Broer
;
Alexander
D.
MacKerell
Jr.
;
Remco W. A. Havenith
;
Nathalie Reuter
刊名:Journal of Chemical Theory and Computation
出版年:2016
9.
Balancing the Interactions of Mg2+ in Aqueous Solution and with Nucleic Acid Moieties For a Polarizable Force Field Based on the Classical Drude Oscillator Model
作者:
Justin A. Lemkul
;
Alexander
D.
MacKerell
Jr.
刊名:Journal of Physical Chemistry B
出版年:2016
10.
Conformational Heterogeneity of Intracellular Loop 3 of the μ-opioid G-protein Coupled Receptor
作者:
Jing Huang
;
Sirish Kaushik Lakkaraju
;
Andrew Coop
;
Alexander
D.
MacKerell
Jr.
刊名:Journal of Physical Chemistry B
出版年:2016
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