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1

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Perspective: Quantum mechanical methods in biochemistry and biophysics

by Cui, Qiang
Published in J Chem Phys (2016)

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2

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Membrane-mediated interaction drives mitochondrial ATPase assembly and cristae formation

by Cui, Qiang
Published in J Gen Physiol (2018)

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3

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A coarse-grained normal mode approach for macromolecules: an efficient implementation and application to Ca(2+)-ATPase.

by Li, Guohui, Cui, Qiang
Published 2002

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Artigo

4

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Analysis of Functional Motions in Brownian Molecular Machines with an Efficient Block Normal Mode Approach: Myosin-II and Ca(2+)-ATPase

by Li, Guohui, Cui, Qiang
Published 2004

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Artigo

5

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Does Arginine Remain Protonated in the Lipid Membrane? Insights from Microscopic pK(a) Calculations

by Yoo, Jejoong, Cui, Qiang
Published 2008

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6

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Allostery and cooperativity revisited

by Cui, Qiang, Karplus, Martin
Published 2008

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7

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The activation mechanism of a signaling protein at atomic resolution from advanced computations

by Ma, Liang, Cui, Qiang
Published 2007

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8

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pK(a) of residue 66 in Staphylococal nuclease. I. Insights from QM/MM simulations with conventional sampling

by Ghosh, Nilanjan, Cui, Qiang
Published 2008

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9

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Interactions between phosphate and water in solution: a Natural Bond Orbital based analysis in a QM/MM framework

by Yang, Yang, Cui, Qiang
Published 2007

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10

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Temperature dependence of salt-protein association is sequence specific

by Ma, Liang, Cui, Qiang
Published 2006

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11

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Does water relay play an important role in phosphoryl transfer reactions? Insights from theoretical study of a model reaction in water and tert-butanol

by Yang, Yang, Cui, Qiang
Published 2009

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12

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The hydrolysis activity of Adenosine triphosphate in myosin: a theoretical analysis of anomeric effects and the nature of transition state

by Yang, Yang, Cui, Qiang
Published 2009

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13

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Curvature Generation and Pressure Profile Modulation in Membrane by Lysolipids: Insights from Coarse-Grained Simulations

by Yoo, Jejoong, Cui, Qiang
Published 2009

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14

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Chemical versus Mechanical Perturbations on the Protonation State of Arginine in Complex Lipid Membranes: Insights from Microscopic pK(a) Calculations

by Yoo, Jejoong, Cui, Qiang
Published 2010

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15

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Glu-286 Rotation and Water Wire Reorientation Are Unlikely the Gating Elements for Proton Pumping in Cytochrome c Oxidase

by Yang, Shuo, Cui, Qiang
Published 2011

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16

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QM/MM analysis suggests that Alkaline Phosphatase (AP) and Nucleotide pyrophosphatase/phosphodiesterase slightly tighten the transition state for phosphate diester hydrolysis relat...

by Hou, Guanhua, Cui, Qiang
Published 2011

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17

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Membrane-Mediated Protein-Protein Interactions and Connection to Elastic Models: A Coarse-Grained Simulation Analysis of Gramicidin A Association

by Yoo, Jejoong, Cui, Qiang
Published 2013

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18

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Three-Dimensional Stress Field around a Membrane Protein: Atomistic and Coarse-Grained Simulation Analysis of Gramicidin A

by Yoo, Jejoong, Cui, Qiang
Published 2013

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19

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Stabilization of Different Types of Transition States in a Single Enzyme Active Site: QM/MM Analysis of Enzymes in the Alkaline Phosphatase Superfamily

by Hou, Guanhua, Cui, Qiang
Published 2013

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20

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Making Biomolecular Simulations Accessible in the Post-Nobel Prize Era

by Cui, Qiang, Nussinov, Ruth
Published 2014

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