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Journal of Chemical Theory and Computation|November 22, 2015
Cluster-Continuum Calculations of Hydration Free Energies of Anions and Group 12 Divalent CationsDemian Riccardi, Hao-Bo Guo, Jerry M Parks, et al.Biochimica Et Biophysica Acta. General Subjects|January 20, 2020
Prediction of peptide binding to MHC using machine learning with sequence and structure-based feature setsMichelle P Aranha, Catherine Spooner, Omar Demerdash, et al.Journal of Molecular Graphics & Modelling|November 12, 2015
Rational design of a carboxylic esterase RhEst1 based on computational analysis of substrate bindingQi Chen, Zheng-Jiao Luan, Hui-Lei Yu, et al.Journal of Computational Chemistry|June 30, 2015
Comparative exploration of hydrogen sulfide and water transmembrane free energy surfaces via orthogonal space tempering free energy samplingChao Lv, Erick W Aitchison, Dongsheng Wu, et al.Soft Matter|November 6, 2014
Structural and mechanical properties of cardiolipin lipid bilayers determined using neutron spin echo, small angle neutron and X-ray scattering, and molecular dynamics simulationsJianjun Pan, Xiaolin Cheng, Melissa Sharp, et al.Bioorganic & Medicinal Chemistry|March 28, 2018
Synthesis and biological evaluation of aminothiazoles against Histoplasma capsulatum and Cryptococcus neoformansKeisuke Ishita, Stavros Stefanopoulos, Ahmed Khalil, et al.Structure (London, England : 1993)|October 20, 2022
Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scatteringOksana Gerlits, Mikolai Fajer, Xiaolin Cheng, et al.Frontiers in Molecular Biosciences|October 27, 2022
Refinement of SARS-CoV-2 envelope protein structure in a native-like environment by molecular dynamics simulationsRui Yang, Sijin Wu, Shen Wang, et al.The Journal of Biological Chemistry|May 2, 2025
Bile acids inhibit equilibrative adenosine transport to alter adenosine receptor signaling in cholestasisArnav Joshi, Sijie Chen, Fazlur Md Rahman, et al.Plos Computational Biology|February 20, 2008
Control of cation permeation through the nicotinic receptor channelHai-Long Wang, Xiaolin Cheng, Palmer Taylor, et al.Pageof 48