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Journal of Chemical Theory and Computation|February 23, 2021
Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range DispersionYalun Yu, Andreas Krämer, Richard M Venable, et al.The Journal of Organic Chemistry|February 26, 2005
Functionalization of the 6,14-bridge of the orvinols. 2. Preparation of 18- and 19-hydroxyl-substituted thevinols and their treatment with benzyl bromideHuifang Wu, Denzil Bernard, Weibin Chen, et al.Nucleic Acids Research|July 27, 2004
Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferaseJohn R Horton, Gary Ratner, Nilesh K Banavali, et al.Biophysical Journal|November 25, 2014
Lipid-linked oligosaccharides in membranes sample conformations that facilitate binding to oligosaccharyltransferaseNathan R Kern, Hui Sun Lee, Emilia L Wu, et al.Molecular Cancer Therapeutics|July 5, 2013
Targeting protein tyrosine phosphatase SHP2 for the treatment of PTPN11-associated malignanciesBing Yu, Wei Liu, Wen-Mei Yu, et al.The Journal of Organic Chemistry|February 14, 2004
Influence of conformation on the EPR spectrum of 5,5-dimethyl-1-hydroperoxy-1-pyrrolidinyloxyl: a spin trapped adduct of superoxideGerald M Rosen, Aleksandra Beselman, Pei Tsai, et al.Gigabyte (Hong Kong, China)|March 25, 2024
Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portalLipsa Priyadarsinee, Esther Jamir, Selvaraman Nagamani, et al.Pathogens (Basel, Switzerland)|September 28, 2021
Clinico-Genomic Analysis Reveals Mutations Associated with COVID-19 Disease Severity: Possible Modulation by RNA StructurePriyanka Mehta, Shanmukh Alle, Anusha Chaturvedi, et al.Journal of Chemical Theory and Computation|January 13, 2017
An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field ApproachesJing Huang, Ye Mei, Gerhard König, et al.Journal of Medicinal Chemistry|July 18, 2008
Identification and validation of human DNA ligase inhibitors using computer-aided drug designShijun Zhong, Xi Chen, Xiao Zhu, et al.Pageof 49