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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

Identification of Potent Inhibitors for Salmonella Typhimurium Quorum Sensing via Virtual Screening and Pharmacophore Modeling

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 1 Year: 2013 Page: 826-839
Author(s): Shanmugam Gnanendra, Syed Mohamed, Jeyakumar Natarajan

Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1211-1221
Author(s): Huiying Chu, Hanyi Min, Mingbo Zhang, Hujun Shen, Guohui Li

Drug Design for Protein Kinases and Phosphatases: Flexible-Receptor Docking, Binding Affinity and Specificity, and Drug-Binding Kinetics

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 26 Year: 2013 Page: 4739-4754
Author(s): Chung F. Wong,Sneha Bairy

A Rational Approach to Identify Inhibitors of Mycobacterium tuberculosis Enoyl Acyl Carrier Protein Reductase

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 3878-3883
Author(s): Mahesh T Chhabria, Kailash B Parmar, Pathik S Brahmkshatriya

General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1713-1741
Author(s): Humberto Gonzalez-Diaz, Sonia Arrasate, Asier Gomez-SanJuan, Nuria Sotomayor, Esther Lete, Lina Besada-Porto, Juan M. Ruso

Protonation States in Molecular Dynamics Simulations of Peptide Folding and Binding

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4173-4181
Author(s): Avraham Ben- Shimon, Deborah E. Shalev, Masha Y. Niv

Conformations and Assembly of Amyloid Oligomers by Electrospray Ionisation - Ion Mobility Spectrometry - Mass Spectrometry

Journal: Current Analytical Chemistry
Volume: 9 Issue: 2 Year: 2013 Page: 165-180
Author(s): Eva Illes-Toth,David P. Smith

Design, Synthesis and Biological Evaluation of Ferulic Acid Amides as Selective Matrix Metalloproteinase Inhibitors

Journal: Medicinal Chemistry
Volume: 9 Issue: 7 Year: 2013 Page: 947-954
Author(s): Zhi-Hao Shi,Nian-Guang Li,Qian-Ping Shi,Hao-Tang,Yu-Ping Tang,Wei-Li,Lian-Yin,Jian-Ping Yang,Jin-Ao Duan

First-Principles Modeling of Biological Systems and Structure-Based Drug-Design

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 1 Year: 2013 Page: 15-34
Author(s): Jacopo Sgrignani,Alessandra Magistrato

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