Search Result "molecular simulation"


Atomistic Simulations of Ultrashort Pulsed Laser Ablation of Polycrystalline Diamond

Journal: Current Nanoscience
Volume: 9 Issue: 6 Year: 2013 Page: 804-811
Author(s): Z. Q. Li,J. Wang,T. Sun

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

o-Alkylselenenylated Benzoic Acid Accesses Several Sites in Serum Albumin According to Fluorescence Studies, Raman Spectroscopy and Theoretical Simulations

Journal: Protein & Peptide Letters
Volume: 20 Issue: 6 Year: 2013 Page: 705-714
Author(s): Federico Martinez-Ramos, Yadira Fonseca-Sabater, Marvin A. Soriano-Ursua, Eduardo Torres, Martha C. Rosales-Hernandez, Jose G. Trujillo-Ferrara, Luis E. Tolentino-Lopez, Ilizaliturri-Flores Ian, Jose Correa-Basurto

Recent Advances in Mathematical Modeling and Simulation of DNA Replication Process.

Journal: Current Bioinformatics
Volume: 8 Issue: 5 Year: 2013 Page: 591-602
Author(s): Guoli Ji,Yong Zeng,Jinting Guan,Qingshun Q. Li,Congting Ye,Yunlong Liu

Applications of Docking and Molecular Dynamic Studies on the Search for New Drugs Against the Biological Warfare Agents Bacillus anthracis and Yersinia pestis

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 507-517
Author(s): Tanos Celmar Costa França,Ana Paula Guimarães,Wilian Augusto Cortopassi,Aline Alves Oliveira,Teodorico Castro Ramalho

Bifunctional Anti-HIV/TB Inhibitors: Perspective from In-Silico Design and Molecular Dynamics Simulations

Journal: Letters in Drug Design & Discovery
Volume: 10 Issue: 8 Year: 2013 Page: 706-712
Author(s): Lauren Blake,Mahmoud E. S. Soliman

Molecular Modeling and Virtual Screening of DNA Methyltransferase Inhibitors

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2138-2147
Author(s): Jose L. Medina-Franco,Jakyung Yoo

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

Simulated Microgravity Based Stem Cell Cultures Enhance Their Utility for Cell-Based Therapy

Journal: Current Biotechnology
Volume: 2 Issue: 3 Year: 2013 Page: 257-261
Author(s): Yumi Kawahara, Louis Yuge

Density Field Theory Approach to Design Multi-Template Imprinted Polymers for Carcinogenic PAHs Sensing

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 9 Year: 2013 Page: 682-694
Author(s): Muntazir S. Khan, Reddithota J. Krupadam

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