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在“Wiley电子期刊”中，命中：56条，耗时：小于0.01 秒

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1.Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms

作者：Sé ; rgio Filipe Sousa ; Antó ; nio J. M. Ribeiro ; Rui P. P. Neves ; Naté ; rcia F. Brás ; Nuno M. F. S. A. Cerqueira ; Pedro A. Fernandes and Maria Joã ; o Ramos

刊名：Wiley Interdisciplinary Reviews: Computational Molecular Science

出版年：2017

2.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

3.What the Humean Should Say About Entanglement

作者：Harjit Bhogal and Zee Perry

刊名：No?s

出版年：2017

4.The Hartree-Fock method: from self-consistency to correct symmetry

作者：Jean-Philippe Martinez

刊名：Annalen der Physik

出版年：2017

5.Delivering stem cells to the healthy heart on biological sutures: effects on regional mechanical function

作者：Ze-Wei Tao ; John T. Favreau ; Jacques P. Guyette ; Katrina J. Hansen ; Jeffrey Lessard ; Evans Burford ; George D. Pins and Glenn R. Gaudette

刊名：Journal of Tissue Engineering and Regenerative Medicine

出版年：2017

6.Emergent horizon, Hawking radiation and chaos in the collapsed polymer model of a black hole

作者：Ram Brustein and A.J.M. Medved

刊名：Fortschritte der Physik

出版年：2017

7.Organic-inorganic interface simulation for new material discoveries

作者：Sathish Kumar Ramakrishnan ; Jie Zhu and Csilla Gergely

刊名：Wiley Interdisciplinary Reviews: Computational Molecular Science

出版年：2017

8.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

9.Reaction Mechanism of Mycobacterium Tuberculosis Glutamine Synthetase Using Quantum Mechanics/Molecular Mechanics Calculations

作者：Dr. Cá ; tia Moreira ; Prof. Maria J. Ramos and Prof. Pedro Alexandrino Fernandes

刊名：Chemistry - A European Journal

出版年：2016

10.Adaptive quantum mechanics/molecular mechanics methods

作者：Min Zheng and Mark P. Waller

刊名：Wiley Interdisciplinary Reviews: Computational Molecular Science

出版年：2016

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