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Biophysical simulations

Understanding Lignin-Degrading Reactions of Ligninolytic Enzymes: Binding Affinity and Interactional Profile

Ming Chen, Guangming Zeng, Zhongyang Tan, Min Jiang, Hui Li, Lifeng Liu, Yi Zhu, Zhen Yu, Zhen Wei, Yuanyuan Liu, Gengxin Xie

published 29 Sep 2011

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Conformational Stability Analyses of Alpha Subunit I Domain of LFA-1 and Mac-1

Debin Mao, Shouqin Lü, Ning Li, Yan Zhang, Mian Long

published 31 Aug 2011

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Mapping the Conformational Dynamics and Pathways of Spontaneous Steric Zipper Peptide Oligomerization

Dirk Matthes, Vytautas Gapsys, Venita Daebel, Bert L. de Groot

published 03 May 2011

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Flexible Search for Single-Axon Morphology during Neuronal Spontaneous Polarization

Honda Naoki, Shinichi Nakamuta, Kozo Kaibuchi, Shin Ishii

published 29 Apr 2011

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Discovering Conformational Sub-States Relevant to Protein Function

Arvind Ramanathan, Andrej J. Savol, Christopher J. Langmead, Pratul K. Agarwal, Chakra S. Chennubhotla

published 28 Jan 2011

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Visualization of Allostery in P-Selectin Lectin Domain Using MD Simulations

Shouqin Lü, Yan Zhang, Mian Long

published 08 Dec 2010

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Characterization of Membrane Potential Dependency of Mitochondrial Ca²⁺ Uptake by an Improved Biophysical Model of Mitochondrial Ca²⁺ Uniporter

Ranjan K. Pradhan, Feng Qi, Daniel A. Beard, Ranjan K. Dash

published 08 Oct 2010

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Bare Bones Pattern Formation: A Core Regulatory Network in Varying Geometries Reproduces Major Features of Vertebrate Limb Development and Evolution

Jianfeng Zhu, Yong-Tao Zhang, Mark S. Alber, Stuart A. Newman

published 28 May 2010

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Modeling Gastrulation in the Chick Embryo: Formation of the Primitive Streak

Bakhtier Vasiev, Ariel Balter, Mark Chaplain, James A. Glazier, Cornelis J. Weijer

published 11 May 2010

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Evaluating Molecular Mechanical Potentials for Helical Peptides and Proteins

Erik J. Thompson, Allison J. DePaul, Sarav S. Patel, Eric J. Sorin

published 07 Apr 2010

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FastTree 2 – Approximately Maximum-Likelihood Trees for Large Alignments

Morgan N. Price, Paramvir S. Dehal, Adam P. Arkin

published 10 Mar 2010

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Steered Molecular Dynamics Simulations Reveal the Likelier Dissociation Pathway of Imatinib from Its Targeting Kinases c-Kit and Abl

Li-Jun Yang, Jun Zou, Huan-Zhang Xie, Lin-Li Li, Yu-Quan Wei, Sheng-Yong Yang

published 24 Dec 2009

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Filamentous Biopolymers on Surfaces: Atomic Force Microscopy Images Compared with Brownian Dynamics Simulation of Filament Deposition

Norbert Mücke, Konstantin Klenin, Robert Kirmse, Malte Bussiek, Harald Herrmann, Mathias Hafner, Jörg Langowski

published 04 Nov 2009

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