Search Result "molecularsimulation"
Discovery of New Aminosubstituted Pyrrolopyrimidines with Antiproliferative Activity Against Breast Cancer Cells and Investigation of their Effect Towards the PI3Kα Enzyme
Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 17 Issue: 7 Year: 2017 Page: 990-1002
Author(s): Konstantinos Daniilides,Nikolaos Lougiakis,Thomas Evangelidis,Ioannis K. Kostakis,Nicole Pouli,Panagiotis Marakos,Emmanuel Mikros,Alexios-Leandros Skaltsounis,Stephane Bach,Blandine Baratte,Sandrine Ruchaud,Valia Karamani,Alexandra Papafotika,Savvas Christoforidis,Orestis Argyros,Eva Kouvari,Constantin Tamvakopoulos
Calcium Channel Blockers - Benefits Upon Vascular Biology in Hypertensive Patients
Journal: Cardiovascular & Hematological Agents in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2015 Page: 54-62
Author(s): Daniel Duda-Seiman,Corina Duda-Seiman,Florin Borcan,Livia-Cristina Borcan,Silvia Mancas,Speranta Avram
Identification of Therapeutic Drug Target of Stenotrophomonas maltophilia Through Subtractive Genomic Approach and in-silico Screening Based on 2D Similarity Filtration and Molecular Dynamic Simulation
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 25 Issue: 1 Year: 2022 Page: 123-138
Author(s): Rahul Chandela,Dhananjay Jade,Surender Mohan,Shobana Sugumar,Ridhi Sharma
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
Lead Identification Through In Silico Studies: Targeting AcetylcholinesteraseEnzyme Against Alzheimerâs Disease
Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 24 Issue: 2 Year: 2024 Page: 219-242
Author(s): Gopal L. Khatik
Novel Dihydropyrimidinone-Derived Selenoesters as Potential Cytotoxic Agents to Human Hepatocellular Carcinoma: Molecular Docking and DNA Fragmentation
Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 21 Issue: 6 Year: 2021 Page: 703-715
Author(s): Jean C. Benassi,Flavio A.R. Barbosa,Valdelúcia M.A.S. Grinevicius,Fabiana Ourique,Daniela Coelho,Karina B. Felipe,Antônio L. Braga,Danilo W. Filho,Rozangela C. Pedrosa
Cordycepin as a Promising Inhibitor of SARS-CoV-2 RNA DependentRNA Polymerase (RdRp)
Journal: Current Medicinal Chemistry
Volume: 29 Issue: 1 Year: 2022 Page: 152-162
Author(s): Shabana Bibi,Mohammad Mehedi Hasan,Yuan-Bing Wang,Stavros P. Papadakos,Hong Yu
Applications of Molecular Simulation in the Discovery of Antituberculosis Drugs: A Review
Journal: Protein & Peptide Letters
Volume: 26 Issue: 9 Year: 2019 Page: 648-663
Author(s): Jian-Ping Hu,Zhi-Xiang Wu,Tao Xie,Xin-Yu Liu,Xiao Yan,Xin Sun,Wei Liu,Li Liang,Gang He,Ya Gan,Xiao-Jun Gou,Zheng Shi,Qiang Zou,Hua Wan,Hu-Bing Shi,Shan Chang
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
Virtual Screening of Acetylcholinesterase Inhibitors Based on Machine Learning Combined with Molecule Docking Methods
Journal: Current Bioinformatics
Volume: 16 Issue: 7 Year: 2021 Page: 963-971
Author(s): Jinyu Yan,Weiguang Huang,Chi Zhang,Haizhong Huo,Fuxue Chen