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Journal of Chemical Theory and Computation|May 8, 2024
Binding of Phosphate Species to Ca2+ and Mg2+ in Aqueous SolutionBasak Koca Fındık, Majid Jafari, Lin Frank Song, et al.Journal of the American Chemical Society|December 31, 2011
Insights into the mechanistic dichotomy of the protein farnesyltransferase peptide substrates CVIM and CVLSYue Yang, Bing Wang, Melek N Ucisik, et al.Acta Crystallographica. Section D, Biological Crystallography|May 13, 2014
Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement packageOleg Y Borbulevych, Joshua A Plumley, Roger I Martin, et al.Biorxiv : the Preprint Server for Biology|September 30, 2024
Molecular insights into substrate translocation in an elevator-type metal transporterYao Zhang, Majid Jafari, Tuo Zhang, et al.Organic & Biomolecular Chemistry|April 26, 2016
Nucleoside-2',3'/3',5'-bis(thio)phosphate antioxidants are also capable of disassembly of amyloid beta42-Zn(ii)/Cu(ii) aggregates via Zn(ii)/Cu(ii)-chelationBosmat Levi Hevroni, Dan Thomas Major, Mudit Dixit, et al.Journal of Chemical Theory and Computation|December 17, 2008
Assigning the protonation states of the key aspartates in β-Secretase using QM/MM X-ray structure refinementNing Yu, Seth A Hayik, Bing Wang, et al.The Journal of Physical Chemistry Letters|June 8, 2022
A Polarizable Cationic Dummy Metal Ion ModelAli Rahnamoun, Kurt A O'Hearn, Mehmet Cagri Kaymak, et al.The Journal of Physical Chemistry Letters|June 21, 2022
Primer for Designing Main Protease (Mpro) Inhibitors of SARS-CoV-2Abhishek Thakur, Gaurav Sharma, Vishnu Nayak Badavath, et al.Journal of Chemical Information and Modeling|July 7, 2020
Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational ChemistryAngelica Mazzolari, Ariane Nunes-Alves, Habibah A Wahab, et al.Journal of Chemical Theory and Computation|September 22, 2010
Structural Survey of Zinc Containing Proteins and the Development of the Zinc AMBER Force Field (ZAFF)Martin B Peters, Yue Yang, Bing Wang, et al.Pageof 25