Book of Abstracts: Albany 2011

category image Albany 2011
Conversation 17
June 14-18 2011
©Adenine Press (2010)
Showing 1 to 24 of 210 items.  Page: 1 2 3 4 5 6 7 8 9 >

Computational Microscopy

Klaus Schulten

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Computational Investigation of the Free Energy Landscape of the four stereomers of Ac-L-Pro-c3Phe-NHMe (c3Phe=2,3-methanophenylalanine) in explicit and implicit Solvent

Juan J. Perez, Alex Rodriguez, and Francesc Corcho

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Computer Simulation of Plastocyanin Diffusion and Interaction with Its Reaction Partners

Ilya Kovalenko, Alexandra Diakonova, Olga Knyazeva, Anna Abaturova, Galina Riznichenko, Andrei Rubin

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Computer Simulations of Protein–Protein Complex Formation on Graphics Processing Units

Ilya Kovalenko, Alexandra Diakonova, Sergey Khrushchev, Anna Abaturova, Galina Riznichenko, Andrei Rubin, Sergey Trifonov, Ivan Morozov, Yaroslav Kholodov, Valeri Barsegov

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Efficient Explicit Solvent Simulations of Molecular Association Kinetics

Matthew C. Zwier, Joseph W. Kaus, and Lillian T. Chong

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Exploring Fast Protein Folding Funnel Using Replica Exchange Molecular Dynamics at Different Temperature Ranges

Vinod Jani, Shruti Koulgi, Uddhavesh Sonavane, Rajendra Joshi

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Exploring Folding Funnel of Villin Headpiece Using Replica Exchange Molecular Dynamics and Amber United Atom Model

Vinod Jani, Uddhavesh Sonavane, and Rajendra Joshi

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Exploring the Role of Protein-Protein Interactions in the Mechanical Unfolding of Protein Assemblies

Ruxandra I. Dima

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Flexibility and Modulations in Protein-Protein Interactions: Mechanistic Insights from Molecular Dynamics Simulations of MDM2 and p53

Shubhra Ghosh Dastidar

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Homology Modeling and Molecular Dynamics Simulations of RNA Polymerases

Ivan Barvik, Vlastimil Zima, Kamil Malac

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Method of Molecular Dynamics for Proteins in the Ionization-Conformation Phase Space at Equilibrium Conditions at Constant pH

Y.N. Vorobjev

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Molecular Dynamics Simulations on Structural Heterogeneity States of Protein

Jihua Wang , Liling Zhao , Zanxia Cao

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Molecular Simulations Unravel Key Amino Acid Interactions Regulating Stability and Aggregation of Human Lens γD-crystallin

Payel Das, Jonathan A. King, and Ruhong Zhou

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Phase transition from α-helices to β-sheets in fibrinogen coiled coils

Artem Zhmuro, Andre Brown, Rustem I. Litvinov, Ruxandra I. Dima, John W. Weisel, and Valeri Barsegov

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Resolving fibrinogen nanomechanics using dynamic force measurements in vitro and in silico

Artem Zhmurov, Andre Brown, Rustem I. Litvino, Ruxandra I. Dima, John W. Weisel, and Valeri Barsegov

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Self Assembly Study of the Human GPCR Protein β2-Adrenergic Receptor Using Coarse Grained Molecular Dynamics Technique

Anirban Ghosh, Uddhavesh B. Sonavane, and Rajendra Joshi

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Swarm intelligence: Cooperative replica methods for prediction of protein structure

Neil J. Bruce, and Richard A. Bryce

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The Nucleosome Simulator: 100 Nucleosomes; 2 Microseconds and Counting

Rajib Mukherjee, Hideki Fujioka, Abhinav Thota, Shantenu Jha, Thomas C. Bishop

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Thermodynamics of Waters Sequestered inside Macromolecules.

Mihaly Mezei

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Molecular Motions of Proteins Play Crucial Role in Their Function

Shu-Qun Liu, Shi-Xi Liu Zhao-Hui Meng, Yan Tao, Ke-Qin Zhang, & Yun-Xin Fu

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Role of Disulfide Bonds in Structural Stability and Flexibility of Cuticle-degrading proteases from nematophagous fungi ⎯ a molecular dynamics simulation study

Lian-Ming Liang, Ke-Qin Zhang, Shu-Qun Liu

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Evidence for Initial Non-specific Polypeptide Chain Collapse during the Refolding of the SH3 Domain of PI3 Kinase

Amrita Dasgupta, Jayant B. Udgaonkar

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Folding Globular Proteins: Collapse Kinetics and Chevron Plots

D. Thirumalai

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Origins of the Mechanical Stability of the C2 Domains in Human Synaptotagmin 1

Li Duan , Artem Zhmurov, Valeri Barsegov, Ruxandra I. Dima

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Showing 1 to 24 of 210 items.  Page: 1 2 3 4 5 6 7 8 9 >