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Biophysical Journal|April 3, 2018
Ensemble Docking in Drug DiscoveryRommie E Amaro, Jerome Baudry, John Chodera, et al.
Endocrinology|March 24, 2016
Evidence for Osteocalcin Binding and Activation of GPRC6A in β-CellsMin Pi, Karan Kapoor, Ruisong Ye, et al.
Journal of Chemical Theory and Computation|February 22, 2024
Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic SolventsMood Mohan, Karuna Devi Jetti, Micholas Dean Smith, et al.
Physical Chemistry Chemical Physics : PCCP|January 10, 2018
Relationship between lignocellulosic biomass dissolution and physicochemical properties of ionic liquids composed of 3-methylimidazolium cations and carboxylate anionsPreenaa Moyer, Micholas Dean Smith, Nourredine Abdoulmoumine, et al.
Journal of the American Chemical Society|August 3, 2016
Local Phase Separation of Co-solvents Enhances Pretreatment of Biomass for Bioenergy ApplicationsBarmak Mostofian, Charles M Cai, Micholas Dean Smith, et al.
Biophysical Journal|September 7, 2025
Molecular Simulation and Artificial Intelligence for the Circular Economy of Bioenergy and BioproductsJeremy C Smith, Micholas Dean Smith, Shih-Hsien Liu, et al.
Journal of the American Chemical Society|September 2, 2009
Mechanism of Hg-C protonolysis in the organomercurial lyase MerBJerry M Parks, Hong Guo, Cory Momany, et al.
Chemical Biology & Drug Design|September 26, 2017
Ensemble docking to difficult targets in early-stage drug discovery: Methodology and application to fibroblast growth factor 23Hector A Velazquez, Demian Riccardi, Zhousheng Xiao, et al.
The Biochemical Journal|September 10, 2020
Structure based virtual screening identifies small molecule effectors for the sialoglycan binding protein HsaRupesh Agarwal, Barbara A Bensing, Dehui Mi, et al.
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