Search Result "CHARMM27"


Molecular Dynamic Studies Unveil Potential Mechanisms of Resistance to Imatinib in BCR-ABL Mutants

Ebook: Topics in Anti-Cancer Research
Volume: 3 Year: 2014
Author(s): Tai-Sung Lee,Steven J. Potts,Maher Albitar
Doi: 10.2174/9781608059089114030011

Study on the Relationship Between Cyclodextrin Glycosyltransferase Thermostability and Salt Bridge Formation by Molecular Dynamics Simulation

Journal: Protein & Peptide Letters
Volume: 17 Issue: 1 Year: 2010 Page: 1403-1411
Author(s): Yi Fu, Yanrui Ding, Zhiguo Wang, Jun Sun, Wei Fang, Wenbo Xu

Research Article

Computational Modeling Approach in Probing the Effects of Cytosine Methylation on the Transcription Factor Binding to DNA

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 15 Year: 2017 Page: 1778-1787
Author(s): John Tenayuca,Kimberley Cousins,Shumei Yang,Lubo Zhang

Molecular Modeling and Simulation of Membrane Lipid-Mediated Effects on GPCRs

Journal: Current Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2013 Page: 22-38
Author(s): S.K. Sadiq,R. Guixa-Gonzalez,E. Dainese,M. Pastor,G. De Fabritiis,J. Selent

How Computational Studies of Mosquito Repellents Contribute to the Control of Vector Borne Diseases

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 3 Year: 2013 Page: 300-307
Author(s): Przemyslaw Miszta,Subhash C. Basak,Ramanathan Natarajan,Wieslaw Nowak

Molecular Dynamics Simulations of Intrinsically Disordered Proteins in Human Diseases

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 4 Year: 2009 Page: 280-287
Author(s): Jihua Wang, Zanxia Cao, Shuqiang Li

Basis for Resistance to Imatinib in 16 BCR-ABL Mutants as Determined Using Molecular Dynamics

Journal: Recent Patents on Anti-Cancer Drug Discovery
Volume: 4 Issue: 2 Year: 2009 Page: 164-173
Author(s): Tai-Sung Lee, Steven J. Potts, Maher Albitar

Review Article

Can Ligands of Different Functional Types Induce Distinct Dynamics in G Protein-Coupled Receptors?

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 21 Year: 2017 Page: 2370-2380
Author(s): Yu-Hsuan Chen,Jung-Hsin Lin

Biomolecular Simulations of Metalloenzymes: Strategies to Tackle the Missing Parameter Problem

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 2 Issue: 3 Year: 2012 Page: 254-262
Author(s): Alexandra T.P. Carvalho

Conformational Dynamics in FKBP Domains: Relevance to Molecular Signaling and Drug Design

Journal: Current Molecular Pharmacology
Volume: 9 Issue: 1 Year: 2016 Page: 5-26
Author(s): David M. LeMaster,Griselda Hernandez

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