Results 61 to 70 of about 629,692 (340)

Trans-Disciplinary Protein Binding Of Drug: Docking Approach [PDF]

, 2011
The purpose of present work is to introduce the binding of existing drugs to the trans-disciplinary protein with the help of docking procedures. Docking procedures allows virtually screening a database of compounds and predict the strongest binder based ...
Ajeet Ajeet
core  

Budget Message of Governor George Docking to the Legislature of Kansas, 1958

, 1958
application/pdf January 14, 1958. Includes Message of Governor George Docking to the Special Session of the Kansas Legislature, April 21 ...
Kansas. Governor (1957-1961 : Docking)
core   +1 more source

Molecular Modeling of µ Opioid Receptor Ligands with Various Functional Properties: PZM21, SR-17018, Morphine, and Fentanyl—Simulated Interaction Patterns Confronted with Experimental Data

Molecules, 2020
Molecular modeling approaches are an indispensable part of the drug design process. They not only support the process of searching for new ligands of a given receptor, but they also play an important role in explaining particular activity pathways of a ...
Sabina Podlewska, Ryszard Bugno, Lucja Kudla, Andrzej J. Bojarski, Ryszard Przewlocki   +4 more
doaj   +1 more source

Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease

Frontiers in Molecular Biosciences, 2023
The development of novel medicines to treat autoimmune diseases and SARS-CoV-2 main protease (Mpro), a virus that can cause both acute and chronic illnesses, is an ongoing necessity for the global community.
Emmanuel Israel Edache, Adamu Uzairu, Paul Andrew Mamza, Gideon Adamu Shallangwa, Fatma Hilal Yagin, Nagwan Abdel Samee, Noha F. Mahmoud   +6 more
doaj   +1 more source

Molecular Docking: A powerful approach for structure-based drug discovery

Current Computer - Aided Drug Design, 2011
Molecular docking has become an increasingly important tool for drug discovery. In this review, we present a brief introduction of the available molecular docking methods, and their development and applications in drug discovery.
Xuan-Yu Meng, Hong-Xing Zhang, M. Mezei, Meng Cui   +3 more
semanticscholar   +1 more source

Molecular docking in organic, inorganic, and hybrid systems: a tutorial review

Chemical Monthly, 2023
Molecular docking simulation is a very popular and well-established computational approach and has been extensively used to understand molecular interactions between a natural organic molecule (ideally taken as a receptor) such as an enzyme, protein, DNA,
Madhuchhanda Mohanty, P. Mohanty
semanticscholar   +1 more source

Leucine‐rich glioma inactivated 1 (LGI1) is a ganglioside‐binding protein

FEBS Letters, EarlyView.
Neuronal hyperexcitability associated with a decrease/absence of the extracellular protein LGI1 has been suggested to be primarily due to the downregulation of Kv1 channel expression. The molecular mechanisms underlying this decrease have not yet been elucidated.
Kévin Debreux, Christian Lévêque, Fodil Azzaz, Marion Sangiardi, Sarosh R Irani, Michael Seagar, Jacques Fantini, Oussama El Far   +7 more
wiley   +1 more source

Enhancing protein-protein docking by new approaches to protein flexibility and scoring of docking hypotheses [PDF]

, 2004
Zöllner FG. Enhancing protein-protein docking by new approaches to protein flexibility and scoring of docking hypotheses. Bielefeld (Germany): Bielefeld University; 2004.Für das Verständnis von biologischen Funktionen können Proteindockingverfahren ...
Frank G. Zöllner, Zöllner, Frank Gerrit   +1 more
core  

Mapping Protein Targets of Carnosol, a Molecule Identified in Rosmarinus officinalis: In Silico Docking Studies and Network Pharmacology

Scientia Pharmaceutica, 2023
Carnosol is a natural diterpene present in Rosmarinus officinalis L. (rosemary) with anti-tumor and anti-inflammatory properties. Despite its importance, the pharmacological mechanisms underlying the interactions between carnosol and human targets are ...
María Taboada-Alquerque, Danilo Pajaro-Valenzuela, Karina Caballero-Gallardo, Alejandro Cifuentes, Elena Ibáñez, Maicol Ahumedo-Monterrosa, Elena E. Stashenko, Jesus Olivero-Verbel   +7 more
doaj   +1 more source

Assessing molecular docking tools: understanding drug discovery and design

Future Journal of Pharmaceutical Sciences
In this twenty-first century, artificial intelligence and computational-based studies, i.e., pharmaceutical biotechnology, are more important in every field, even in the field of drug discovery, design, and development, and they should be for managing ...
Harendar Kumar Nivatya, A. Singh, Nitin Kumar, Sonam, Lovy Sharma, Vishal Singh, Raghav Mishra, Nishant Gaur, A. Mishra   +8 more
semanticscholar   +1 more source