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	1.	Enhancing Conformation and Protonation State Sampling of Hen Egg White Lysozyme Using pH Replica Exchange Molecular Dynamics. [electronic resource] by Swails, Jason M Roitberg, Adrian E Producer: 20151130 In: Journal of chemical theory and computation vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	SPAM: A Simple Approach for Profiling Bound Water Molecules. [electronic resource] by Cui, Guanglei Swails, Jason M Manas, Eric S Producer: 20151222 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Improved Accuracy for Constant pH-REMD Simulations through Modification of Carboxylate Effective Radii. [electronic resource] by Yeager, Andrew V Swails, Jason M Miller, Bill R Producer: 20180404 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	AFNMR: automated fragmentation quantum mechanical calculation of NMR chemical shifts for biomolecules. [electronic resource] by Swails, Jason Zhu, Tong He, Xiao Case, David A Producer: 20160701 In: Journal of biomolecular NMR vol. 63 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation. [electronic resource] by Swails, Jason M York, Darrin M Roitberg, Adrian E Publication details: Journal of chemical theory and computation Mar 2014 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	A Coupled Ionization-Conformational Equilibrium Is Required To Understand the Properties of Ionizable Residues in the Hydrophobic Interior of Staphylococcal Nuclease. [electronic resource] by Liu, Jinfeng Swails, Jason Zhang, John Z H He, Xiao Roitberg, Adrian E Producer: 20180709 In: Journal of the American Chemical Society vol. 140 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Interpretation of pH-activity profiles for acid-base catalysis from molecular simulations. [electronic resource] by Dissanayake, Thakshila Swails, Jason M Harris, Michael E Roitberg, Adrian E York, Darrin M Producer: 20150408 In: Biochemistry vol. 54 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	MMPBSA.py: An Efficient Program for End-State Free Energy Calculations. [electronic resource] by Miller, Bill R McGee, T Dwight Swails, Jason M Homeyer, Nadine Gohlke, Holger Roitberg, Adrian E Producer: 20151130 In: Journal of chemical theory and computation vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	pH-dependent mechanism of nitric oxide release in nitrophorins 2 and 4. [electronic resource] by Swails, Jason M Meng, Yilin Walker, F Ann Marti, Marcelo A Estrin, Dario A Roitberg, Adrian E Producer: 20090324 In: The journal of physical chemistry. B vol. 113 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Multidimensional Replica Exchange Molecular Dynamics Yields a Converged Ensemble of an RNA Tetranucleotide. [electronic resource] by Bergonzo, Christina Henriksen, Niel M Roe, Daniel R Swails, Jason M Roitberg, Adrian E Cheatham, Thomas E Publication details: Journal of chemical theory and computation Jan 2014 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix. [electronic resource] by Moriarty, Nigel W Janowski, Pawel A Swails, Jason M Nguyen, Hai Richardson, Jane S Case, David A Adams, Paul D Producer: 20200610 In: Acta crystallographica. Section D, Structural biology vol. 76 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. [electronic resource] by Shirts, Michael R Klein, Christoph Swails, Jason M Yin, Jian Gilson, Michael K Mobley, David L Case, David A Zhong, Ellen D Producer: 20170928 In: Journal of computer-aided molecular design vol. 31 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. [electronic resource] by Shirts, Michael R Klein, Christoph Swails, Jason M Yin, Jian Gilson, Michael K Mobley, David L Case, David A Zhong, Ellen D Publication details: Journal of computer-aided molecular design 08 2017 In: Journal of computer-aided molecular design vol. 31 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories. [electronic resource] by McGibbon, Robert T Beauchamp, Kyle A Harrigan, Matthew P Klein, Christoph Swails, Jason M Hernández, Carlos X Schwantes, Christian R Wang, Lee-Ping Lane, Thomas J Pande, Vijay S Producer: 20160804 In: Biophysical journal vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	OpenMM 7: Rapid development of high performance algorithms for molecular dynamics. [electronic resource] by Eastman, Peter Swails, Jason Chodera, John D McGibbon, Robert T Zhao, Yutong Beauchamp, Kyle A Wang, Lee-Ping Simmonett, Andrew C Harrigan, Matthew P Stern, Chaya D Wiewiora, Rafal P Brooks, Bernard R Pande, Vijay S Producer: 20170818 In: PLoS computational biology vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field. [electronic resource] by Lee, Jumin Cheng, Xi Swails, Jason M Yeom, Min Sun Eastman, Peter K Lemkul, Justin A Wei, Shuai Buckner, Joshua Jeong, Jong Cheol Qi, Yifei Jo, Sunhwan Pande, Vijay S Case, David A Brooks, Charles L MacKerell, Alexander D Klauda, Jeffery B Im, Wonpil Producer: 20161012 In: Journal of chemical theory and computation vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Advanced Potential Energy Surfaces for Molecular Simulation. [electronic resource] by Albaugh, Alex Boateng, Henry A Bradshaw, Richard T Demerdash, Omar N Dziedzic, Jacek Mao, Yuezhi Margul, Daniel T Swails, Jason Zeng, Qiao Case, David A Eastman, Peter Wang, Lee-Ping Essex, Jonathan W Head-Gordon, Martin Pande, Vijay S Ponder, Jay W Shao, Yihan Skylaris, Chris-Kriton Todorov, Ilian T Tuckerman, Mark E Head-Gordon, Teresa Producer: 20180418 In: The journal of physical chemistry. B vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)