Search Result "molecular dynamics simulations"


Review Article

Molecular Dynamics Simulations, Challenges and Opportunities: A Biologist’s Prospective

Journal: Current Protein & Peptide Science
Volume: 18 Issue: 11 Year: 2017 Page: 1163-1179
Author(s): Indu Kumari,Padmani Sandhu,Mushtaq Ahmed,Yusuf Akhter

Research Article

Molecular Dynamics Simulation and DFT Study to Predict the Refractive Index of Intermediates in the Paal-Knorr Pyrrole Synthesis

Journal: Letters in Organic Chemistry
Volume: 14 Issue: 2 Year: 2017 Page: 120-127
Author(s): Mohsen Sargolzaei,Esmaiel Soleimani,Mahdi Afshar

The Fundamentals of Molecular Simulations

Ebook: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth

Volume: 1 Year: 2017
Author(s): Jestin Baby Mandumpal
Doi: 10.2174/9781681084237117010006
Research Article

Rational Design and Engineering of a Mutant Variant of Urate Oxidase as a Therapeutic Enzyme: A Molecular Dynamics Simulation Approach

Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 1 Year: 2017 Page: 30-38
Author(s): Sajjad Ahrari, Fatemeh Dabbagh, Sobhan Ahrari, Younes Ghasemi, Navid Mogharrab, Yasser Riazalhosseini

Review Article

Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2617-2625
Author(s): Gerard Martínez-Rosell,Toni Giorgino,Matt J. Harvey,Gianni de Fabritiis

Review Article

Computer Simulations of the Retinoid X Receptor: Conformational Dynamics and Allosteric Networks

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 6 Year: 2017 Page: 731-741
Author(s): Arjan van der Vaart,Alexander Lorkowski,Ning Ma,Geoffrey M. Gray

Research Article

Molecular Dynamics Simulations of Novel Potential Inhibitors for Penicillin Binding Protein 2B of the Resistant 5204 Strain of Streptococcus pneumoniae

Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 3 Year: 2017 Page: 234-248
Author(s): Suvaiyarasan Suvaithenamudhan,Subbiah Parthasarathy

Research Article

Characterization of Atomic Surface Roughness in Nanometric Machining Molecular Dynamics (MD) Simulations

Journal: Current Nanoscience
Volume: 13 Issue: 1 Year: 2017 Page: 31-39
Author(s): Akinjide Olufemi Oluwajobi,Xun Chen

Research Article

Molecular Simulation and Activity Studies of Oxametacin as an HDAC Inhibitor

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 11 Year: 2017 Page: 1277-1282
Author(s): Fanbo Jing,Lei Zhang,Yepeng Luan,Jiang Bian

Research Article

Novel Insights into the Molecular Interaction of a Panduratin A Derivative with the Non Structural Protein (NS3) of Dengue Serotypes: A Molecular Dynamics Study

Journal: Current Pharmaceutical Biotechnology
Volume: 18 Issue: 9 Year: 2017 Page: 769-782
Author(s): Pratap Parida,Raj Narain Singh Yadav,Budheswar Dehury,Debosree Ghosh,Namita Mahapatra,Analava Mitra,Tapan Kumar Mohanta

Previous   Next

Go To   Results 1 - 1 of 279

Filter Result

Volume Year
Content Type
Ads
© 2024 Bentham Science Publishers | Privacy Policy