Search Result "avogadro software."
Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer
Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 3 Year: 2018 Page: 246-252
Author(s): Pulakuntla Swetha Reddy,Kiran Bharat Lokhande,Shuchi Nagar,Vaddi Damodara Reddy,P. Sushma Murthy,K. Venkateswara Swamy
Preliminary Identification of Hamamelitannin and Rosmarinic Acid as COVID-19 Inhibitors Based on Molecular Docking
Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 1 Year: 2021 Page: 67-75
Author(s): Kaushik Sarkar,Rajesh Kumar Das
In Silico Analysis of the Antidepressant Fluoxetine and Related Drugs atSARS-CoV-2 Main Protease (Mpro) and Papain-like Protease (PLpro)
Journal: Current Drug Discovery Technologies
Volume: 20 Issue: 2 Year: 2023 Page: 29-40
Author(s): Folorunsho Bright Omage,Cássia Pereira Delgado,Pablo Andrei Nogara
Design of Multitarget Inhibitors as Tracheal Smooth Muscle Relaxants
Journal: Current Protein & Peptide Science
Volume: 24 Issue: 3 Year: 2023 Page: 257-266
Author(s): Neela M. Bhatia,Manish S. Bhatia,Sibaprasad K. Mohanty,Rishikesh S. Parulekar,Amruta V. Joshi,Snehal S. Ashtekar
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
Small Angle X-Ray Scattering: A Powerful Tool to Analyze Protein Conformation in Solution
Journal: Current Organic Chemistry
Volume: 9 Issue: 1 Year: 2005 Page: 1781-1800
Author(s): E. Dainese, A. Sabatucci, I. Cozzani
Selenium and Computational Studies
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 21 Issue: 14 Year: 2021 Page: 1865-1887
Author(s): Natália Ferreira de Sousa,Luciana Scotti,Eugene N. Muratov,Marcus Tullius Scotti
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
Computer-Aided Perspective for the Design of Flexible HIV Non- Nucleoside Reverse Transcriptase Inhibitors (NNRTIs): de-novo Drug Design, Virtual Screening and Molecular Dynamics Simulations
Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 4 Year: 2014 Page: 513-524
Author(s): Suri Moonsamy,Mahmoud E. S. Soliman
Molecular Docking, DFT Studies and ADMET Simulations for Evaluating Already Approved FDA Drugs as Inhibitors for SARS-Cov-2 RNADependent Polymerase
Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 7 Year: 2021 Page: 674-685
Author(s): Manos C. Vlasiou,Kyriakos I. Ioannou,Kyriaki S. Pafiti