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Journal of Computational Chemistry|April 30, 2004
Development and testing of a general amber force fieldJunmei Wang, Romain M Wolf, James W Caldwell, et al.
Plos Computational Biology|April 13, 2012
Energetic selection of topology in ferredoxinsJ Dongun Kim, Agustina Rodriguez-Granillo, David A Case, et al.
Journal of Molecular Biology|October 19, 2011
Comparison of SARS and NL63 papain-like protease binding sites and binding site dynamics: inhibitor design implicationsRima Chaudhuri, Sishi Tang, Guijun Zhao, et al.
The Journal of Chemical Physics|December 16, 2014
Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acidsHung T Nguyen, Suzette A Pabit, Steve P Meisburger, et al.
Journal of Medicinal Chemistry|April 22, 2010
Structure-based discovery of A2A adenosine receptor ligandsJens Carlsson, Lena Yoo, Zhan-Guo Gao, et al.
ACS Pharmacology & Translational Science|March 29, 2020
Structural Characterization of Agonist Binding to Protease-Activated Receptor 2 through Mutagenesis and Computational ModelingAmanda J Kennedy, Flavio Ballante, Johan R Johansson, et al.
ACS Chemical Biology|August 29, 2017
Structure-Guided Screening for Functionally Selective D2 Dopamine Receptor Ligands from a Virtual Chemical LibraryBarbara Männel, Mariama Jaiteh, Alexey Zeifman, et al.
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