Search Result "CHARMm"


Research Article

Amyloid Aggregation Inhibitory Mechanism of Arginine-rich D-peptides

Journal: Current Medicinal Chemistry
Volume: 21 Issue: 12 Year: 2014 Page: 1448-1457
Author(s): O.O. Olubiyi,D. Frenzel,D. Bartnik,J.M. Gluck,O. Brener,L. Nagel-Steger,S.A. Funke,D. Willbold,B. Strodel

Quantum Chemical Approaches: Semiempirical Molecular Orbital and Hybrid Quantum Mechanical/Molecular Mechanical Techniques

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3293-3302
Author(s): Richard A. Bryce,Ian H. Hillier

Review and Research Analysis of Computational Target Methods Using BioRuby and In silico Screening of Herbal Lead Compounds Against Pancreatic Cancer Using R Programming

Journal: Current Drug Metabolism
Volume: 15 Issue: 5 Year: 2014 Page: 535-543
Author(s): Jayadeepa R.M,Ankita Ray,Dhaval Naik,Debendra Nath Sanyal,Disha Shah

Structure Simulations of Solutions with Small Organic Solutes at Ambient Temperature and pH =7

Journal: Current Physical Chemistry
Volume: 4 Issue: 4 Year: 2014 Page: 330-392
Author(s): Peter I. Nagy

Discovery of Novel CK2 Leads by Cross-Docking Based Virtual Screening

Journal: Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2014 Page: 628-639
Author(s): Haopeng Sun, Xiaowen Wu, Xiaoli Xu, Zhengyu Jiang, Zongliang Liu, Qidong You

Design, Synthesis and Screening Studies of Potent Thiazol-2-Amine Derivatives as Fibroblast Growth Factor Receptor 1 Inhibitors

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 17 Year: 2014 Page: 2031-2041
Author(s): B.V.S. Suneel Kumar,Narasu Lakshmi,M. Ravi Kumar,Gundla Rambabu,Thimmappa H. Manjashetty,Kalle M. Arunasree,Dharmarajan Sriram,Kavya Ramkumar,Nouri Neamati,Raveendra Dayam,J.A.R.P. Sarma

Diastereoselective Synthesis of N-(p-Tosylsulfonyl)-2-Phenylaziridine Over a Novel Magnetically Recyclable Cu(II) Catalyst Accompanied with the NInversion Assessment at DFT

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 9 Year: 2014 Page: 756-762
Author(s): Monireh Ghavami,Maryam Koohi,Aliakbar Ahmadi,Hassan Zandi,Mohammad Z. Kassaee

In Silico Identification of Potential Dynamin-Related Protein 1 Antagonists: Implications for Diseases Involving Mitochondrial Dysfunction

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 1 Year: 2014 Page: 25-34
Author(s): Pradeep Hanumanthappa,Golgodu K. Rajanikant

A Combination of Pharmacophore and In silico Approaches for Identification of Potential Transthyretin Amyloidosis Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 3 Year: 2014 Page: 339-348
Author(s): Zheng-Li Zhou,Hsuan-Liang Liu,Josephine W. Wu,Cheng-Wen Tsao,Wei-Hsi Chen,Kung-Tien Liu,Yih Ho

Molecular Dynamics Simulation in RNA Interference

Journal: Current Medicinal Chemistry
Volume: 21 Issue: 17 Year: 2014 Page: 1968-1975
Author(s): Xia Wang,Yonghua Wang,Lei Zheng,Jianxin Chen

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