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Wiley电子期刊(11)	SpringerLink电子期刊(97)	NATURE电子期刊(4)	Elsevier电子期刊(177)
Springer电子图书(1)	ProQuest学位论文(1)	GSW全文库(2)	ACS电子期刊(123)

在“Wiley电子期刊”中，命中：11条，耗时：0.0229891 秒

在所有数据库中总计命中：416条

1.Q|R: quantum-based refinement

作者：Min Zheng ; Jeffrey R. Reimers ; Mark P. Waller and Pavel V. Afonine

关键词：quantum refinement ; structural biology ; X-ray diffraction ; neutron diffraction ; cryo-EM ; cctbx ; Q|R

刊名：Acta Crystallographica Section D

出版年：2017

2.XModeScore: a novel method for accurate protonation/tautomer-state determination using quantum-mechanically driven macromolecular X-ray crystallographic refinement

作者：Oleg Borbulevych ; Roger I. Martin ; Ian J. Tickle and Lance M. Westerhoff

关键词：X-ray crystallography ; quantum-mechanics X-ray refinement ; ligand strain ; high-throughput crystallography ; protonation states ; tautomers ; difference density Z score ; structure-guided drug discovery ; structure-based drug discovery ; XModeScore

刊名：Acta Crystallographica Section D

出版年：2016

3.Oscail, a program package for small-molecule single-crystal crystallography with crystal morphology prediction and molecular modelling

作者：Patrick McArdle

关键词：computer programs ; small-molecule crystallography ; lattice analysis ; photorealism ; movies

刊名：Journal of Applied Crystallography

出版年：2017

4.Charge density of the biologically active molecule (2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid

作者：Ai Wang ; Jamshid Ashurov ; Aziz Ibragimov ; Ruimin Wang ; Halima Mouhib ; Nasir Mukhamedov and Ulli Englert

关键词：experimental electron density ; multipole refinement ; potential energy surface ; conformational degrees of freedom ; intermolecular interactions and polarization

刊名：Acta Crystallographica Section B

出版年：2016

5.Refined modelling of the short-T2 signal component and ensuing detection of glutamate and glutamine in short-TE, localised, 1H MR spectra of human glioma measured at 3 T

作者：Michael Gottschalk ; Irè ; ne Troprès ; Laurent Lamalle ; Sylvie Grand ; Jean-Franç ; ois Le Bas and Christoph Segebarth

刊名：NMR in Biomedicine

出版年：2016

6.On the ability of molecular dynamics force fields to recapitulate NMR derived protein side chain order parameters

作者：Evan S. O' ; Brien ; A. Joshua Wand and Kim A. Sharp

刊名：Protein Science

出版年：2016

7.Through-the-glass spectroscopic ellipsometry for analysis of CdTe thin-film solar cells in the superstrate configuration

作者：Prakash Koirala ; Jian Li ; Heayoung P. Yoon ; Puruswottam Aryal ; Sylvain Marsillac ; Angus A. Rockett ; Nikolas J. Podraza and Robert W. Collins

刊名：Progress in Photovoltaics: Research and Applications

出版年：2016

8.Chiral expansion and Macdonald deformation of two-dimensional Yang-Mills theory

作者：Zoltá ; n Kö ; ké ; nyesi ; Annamaria Sinkovics and Richard J. Szabo

刊名：Fortschritte der Physik

出版年：2016

9.Zintl Phases K_4-xNa_xSi₄ (1 ≤ x ≤ 2.2) and K₇NaSi₈: Synthesis, Crystal Structures, and Solid-State NMR Spectroscopic Investigations

作者：Lavinia M. Scherf ; Oliver Pecher ; Kent J. Griffith ; Frank Haarmann ; Clare P. Grey and Thomas F. Fä ; ssler

刊名：European Journal of Inorganic Chemistry

出版年：2016

10.Pseudo-Contact NMR Shifts over the Paramagnetic Metalloprotein CoMMP-12 from First Principles

作者：Dr. Ladislav Benda ; Dr. Jiří ; Mareš ; Dr. Enrico Ravera ; Prof. Dr. Giacomo Parigi ; Prof. Dr. Claudio Luchinat ; Prof. Dr. Martin Kaupp and Prof. Dr. Juha Vaara

刊名：Angewandte Chemie

出版年：2016

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