Search Result "MD"


Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1222-1233
Author(s): Huiying Chu, Hanyi Min, Mingbo Zhang, Hujun Shen, Guohui Li

Insight into the Binding Mode between HIV-1 Integrase and Pyrimidone Analogue Inhibitors with MD Simulation and 3D-QSAR

Journal: Medicinal Chemistry
Volume: 9 Issue: 3 Year: 2013 Page: 420-433
Author(s): Songyao Ma,Wei Ye,Dingjue Ji,Hai-Feng Chen

How Recent Advances in High-risk Myelodysplastic Syndrome Physiopathology May Impact Future Treatments

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 3 Year: 2013 Page: 5362-5373
Author(s): Thomas Cluzeau, Guillaume Robert, Arnaud Jacquel, Patrick Auberger

Drug Design Benefits from Molecular Dynamics: Some Examples

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 532-546
Author(s): Ji-Long Zhang,Qing-Chuan Zheng,Wen-Ting Chu,Hong-Xing Zhang

Recent Advances in Protein−Ligand Interactions: Molecular Dynamics Simulations and Binding Free Energy

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 518-531
Author(s): Kshatresh Dutta Dubey,Rakesh Kumar Tiwari,Rajendra Prasad Ojha

Structural Basis for Binding of Aurora-AG198N- INCENP Complex: MD Simulations and Free Energy Calculations

Journal: Protein & Peptide Letters
Volume: 20 Issue: 1 Year: 2013 Page: 1246-1256
Author(s): Karunakar Tanneeru, Lalitha Guruprasad

MicroRNA Dysregulation in the Myelodysplastic Syndromes

Journal: MicroRNA
Volume: 2 Issue: 3 Year: 2013 Page: 174-186
Author(s): Stephen S. Chung,Christopher Y. Park

Resolving Differences in Substrate Specificities between Human and Parasite Phosphoribosyltransferases via Analysis of Functional Groups of Substrates and Receptors

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4226-4240
Author(s): Zofia Gasik, David Shugar, Jan M. Antosiewicz

Differences in Functional Brain Activation and Hippocampal Volume Among Amnestic Mild Cognitive Impairment Subtypes

Journal: Current Alzheimer Research
Volume: 10 Issue: 1 Year: 2013 Page: 1080-1089
Author(s): Xin Li, Lu Zheng, Junying Zhang, Xiaoqing Zhou, Chao Ma, Yaojing Chen, Ni Shu, Zhanjun Zhang

Optimizing Outcomes Following Allogeneic Hematopoietic Progenitor Cell Transplantation in AML: The Role of Hypomethylating Agents

Journal: Current Cancer Drug Targets
Volume: 13 Issue: 6 Year: 2013 Page: 661-669
Author(s): Massimo Martino,Roberta Fedele,Tiziana Moscato,Francesca Ronco

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