sobolevnrm's Cui:Q [20 articles] Export Sort

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	CHARMM: The biomolecular simulation program [My Copy] Journal of Computational Chemistry, Vol. 30, No. 10. (30 July 2009), pp. 1545-1614. by B. R. Brooks, C. L. Brooks, A. D. Mackerell, et al.L. Nilsson, R. J. Petrella, B. Roux, Y. Won, G. Archontis, C. Bartels, S. Boresch, A. Caflisch, L. Caves, Q. Cui, A. R. Dinner, M. Feig, S. Fischer, J. Gao, M. Hodoscek, W. Im, K. Kuczera, T. Lazaridis, J. Ma, V. Ovchinnikov, E. Paci, R. W. Pastor, C. B. Post, J. Z. Pu, M. Schaefer, B. Tidor, R. M. Venable, H. L. Woodcock, X. Wu, W. Yang, D. M. York, M. Karplus posted to molecular_dynamics molecular_simulation by sobolevnrm on 2009-05-19 12:00:47 as along with 10 people and 1 group ckmyo dgront rodrigofaccioli mmuecke medic0747 flbarroso jrperillaj xavierprat saravan dimka baker-group
	Microscopic pKa Analysis of Glu286 in Cytochrome c Oxidase (Rhodobacter sphaeroides): Toward a Calibrated Molecular Model† [My Copy] Biochemistry, Vol. 48, No. 11. (24 March 2009), pp. 2468-2485. by Nilanjan Ghosh, Xavier Prat-Resina, M. R. Gunner, Qiang Cui posted to electrostatics pka quantum_mechanics solvation by sobolevnrm on 2009-03-24 12:24:54 as along with 1 person and 1 group xavierprat baker-group
	Reliable treatment of electrostatics in combined QM/MM simulation of macromolecules [My Copy] The Journal of Chemical Physics, Vol. 123, No. 1. (2005) by Patricia Schaefer, Demian Riccardi, Qiang Cui posted to electrostatics quantum_mechanics by sobolevnrm on 2009-02-18 12:33:48 as along with 1 person and 1 group onufriev baker-group
	Gating Mechanisms of Mechanosensitive Channels of Large Conductance, II: Systematic Study of Conformational Transitions [My Copy] Biophysical Journal, Vol. 95, No. 2. (2008) by Yuye Tang, Jejoong Yoo, Arun Yethiraj, Qiang Cui, Xi Chen posted to biomembranes mechanics multiscale ion_channels by sobolevnrm on 2008-08-24 17:18:13 as
	Gating Mechanisms of Mechanosensitive Channels of Large Conductance, I: A Continuum Mechanics-Based Hierarchical Framework [My Copy] Biophysical Journal, Vol. 95, No. 2. (2008) by Xi Chen, Qiang Cui, Yuye Tang, Jejoong Yoo, Arun Yethiraj posted to biomembranes mechanics multiscale ion_channels by sobolevnrm on 2008-08-24 17:18:12 as
	Allostery and cooperativity revisited [My Copy] Protein Sci, Vol. 17, No. 8. (2008), pp. 1295-1307. by Qiang Cui, Martin Karplus posted to allostery review by sobolevnrm on 2008-08-06 12:16:37 as
	pKa of Residue 66 in Staphylococal nuclease. I. Insights from QM/MM Simulations with Conventional Sampling [My Copy] Journal of Physical Chemistry B, Vol. 112, No. 28. (2008), pp. 8387-8397. by Nilanjan Ghosh, Qiang Cui posted to pka solvation molecular_simulation by sobolevnrm on 2008-08-02 17:53:52 as
	Does Arginine remain protonated in the lipid membrane? Insights from microscopic pKa calculations [My Copy] Biophys. J. (16 January 2008), biophysj.107.122945. by Jejoong Yoo, Qiang Cui posted to biomembranes electrostatics pka solvation by sobolevnrm on 2008-02-25 12:11:49 as along with 2 people and 1 group paulschlesinger sunhwan baker-group
	Protein Structural Variation in Computational Models and Crystallographic Data [My Copy] Structure, Vol. 15, No. 2. (2007), pp. 169-77. by D. A. Kondrashov, A. W. Van Wynsberghe, R. M. Bannen, Q. Cui, Jr posted to quasiharmonic_models by sobolevnrm on 2007-05-25 14:36:29 as along with 1 group baker-group
	Low-Resolution Molecular Dynamics Simulations of the 30S Ribosomal Subunit [My Copy] Multiscale Modeling and Simulation, Vol. 5, No. 4. (2006), pp. 1248-63. by Q. Cui, R. K. Z. Tan, S. C. Harvey, D. A. Case posted to multiscale nucleic_acids ribosome quasiharmonic_models by sobolevnrm on 2007-05-25 14:36:04 as along with 1 group baker-group
	Interpreting Correlated Motions Using Normal Mode Analysis [My Copy] Structure, Vol. 14, No. 11. (2006), pp. 1647-53. by A. W. Van Wynsberghe, Q. Cui posted to quasiharmonic_models by sobolevnrm on 2007-05-25 14:24:57 as along with 1 group baker-group
	The Temperature Dependence of Salt-Protein Association Is Sequence Specific [My Copy] Biochemistry, Vol. 45, No. 48. (2006), pp. 14466-72. by L. Ma, Q. Cui posted to electrostatics by sobolevnrm on 2007-05-25 14:24:57 as along with 1 group baker-group
	Optimization and Evaluation of a Coarse-Grained Model of Protein Motion Using X-Ray Crystal Data [My Copy] Biophysical Journal, Vol. 91, No. 8. (2006), pp. 2760-7. by D. A. Kondrashov, Q. Cui, Jr posted to quasiharmonic_models by sobolevnrm on 2007-05-25 14:23:20 as along with 1 group baker-group
	A finite element framework for studying the mechanical response of macromolecules: Application to the gating of the mechanosensitive channel MscL [My Copy] Biophysical Journal, Vol. 91, No. 4. (2006), pp. 1248-63. by Y. W. Tang, G. Cao, X. Chen, J. Yoo, A. Yethiraj, Q. Cui posted to biomembranes multiscale by sobolevnrm on 2007-05-25 14:22:46 as along with 1 group baker-group
	Reconciling the old and new views of protein allostery: A molecular simulation study of chemotaxis Y protein (CheY) [My Copy] Proteins, Vol. 63, No. 4. (2006), pp. 846-67. by M. S. Formaneck, L. Ma, Q. Cui posted to allostery by sobolevnrm on 2007-05-25 14:22:46 as along with 1 group baker-group
	pKa Calculations in Solution and Proteins with QM/MM Free Energy Perturbation Simulations: A Quantitative Test of QM/MM Protocols [My Copy] Journal of Physical Chemistry B, Vol. 109, No. 37. (2005), pp. 17715-33. by D. Riccardi, P. Schaefer, Q. Cui posted to quantum_mechanics solvation by sobolevnrm on 2007-05-25 14:18:43 as along with 1 group baker-group
	Normal-Mode Analysis Suggests Protein Flexibility Modulation throughout RNA Polymerase's Functional Cycle [My Copy] Biochemistry, Vol. 43, No. 41. (2004), pp. 13083-96. by A. Van Wynsberghe, G. Li, Q. Cui posted to quasiharmonic_models by sobolevnrm on 2007-05-25 14:13:41 as along with 1 group baker-group
	A Coarse-Grained Normal Mode Approach for Macromolecules: An Efficient Implementation and Application to Ca2+-ATPase [My Copy] Biophysical Journal, Vol. 83, No. 5. (2002), pp. 2457-2474. by G. Li, Q. Cui posted to allostery quasiharmonic_models by sobolevnrm on 2007-05-25 14:02:10 as along with 1 group baker-group
	Analysis of Functional Motions in Brownian Molecular Machines with an Efficient Block Normal Mode Approach: Myosin-II and Ca2+-ATPase [My Copy] Biophysical Journal, Vol. 86, No. 2. (2004), pp. 743-763. by G. Li, Q. Cui posted to multiscale quasiharmonic_models by sobolevnrm on 2007-05-25 14:02:10 as along with 1 group baker-group
	A dynamic analysis of the rotation mechanism for conformational change in F(1)-ATPase [My Copy] Structure (Camb), Vol. 10, No. 7. (2002), pp. 921-31. by J. Ma, T. C. Flynn, Q. Cui, A. G. Leslie, J. E. Walker, M. Karplus posted to allostery molecular_dynamics quasiharmonic_models by sobolevnrm on 2007-05-25 13:57:46 as along with 1 group baker-group

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sobolevnrm's Cui:Q [20 articles] Export Sort

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