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International Journal of Molecular Sciences|April 29, 2009
Probing the nanosecond dynamics of a designed three-stranded beta-sheet with a massively parallel molecular dynamics simulationVincent A Voelz, Edgar Luttmann, Gregory R Bowman, et al.
Journal of Chemical Theory and Computation|July 4, 2012
Are Protein Force Fields Getting Better? A Systematic Benchmark on 524 Diverse NMR MeasurementsKyle A Beauchamp, Yu-Shan Lin, Rhiju Das, et al.
Cureus|August 1, 2024
Anterior Open Bite Treated With Palatal Crib and Myofunctional Therapy: A Case ReportRohini Chandel, Meenal S Pande, Ramakrishna Yeluri, et al.
Plos Computational Biology|April 1, 2020
Dynamical model of the CLC-2 ion channel reveals conformational changes associated with selectivity-filter gatingKeri A McKiernan, Anna K Koster, Merritt Maduke, et al.
Journal of Computational Chemistry|September 20, 2005
A new set of molecular mechanics parameters for hydroxyproline and its use in molecular dynamics simulations of collagen-like peptidesSanghyun Park, Randall J Radmer, Teri E Klein, et al.
Journal of Microencapsulation|October 1, 1991
Enteric spherules diastase in enzyme preparationsS P Vyas, P J Gogoi, S Pande, et al.
The Journal of Chemical Physics|December 10, 2008
Simulating oligomerization at experimental concentrations and long timescales: A Markov state model approachNicholas W Kelley, V Vishal, Grant A Krafft, et al.
Plos One|April 9, 2013
Persistent topology and metastable state in conformational dynamicsHuang-Wei Chang, Sergio Bacallado, Vijay S Pande, et al.
Current Opinion in Structural Biology|December 15, 2012
To milliseconds and beyond: challenges in the simulation of protein foldingThomas J Lane, Diwakar Shukla, Kyle A Beauchamp, et al.
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