Molecular Recognition Laboratory
Drug Discovery & Modelling
MOLREC
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Research Areas
Molecular Biophysics
Molecular biophysics is a field that studies the physical and chemical properties of biological molecules at the molecular level. It uses experimental and computational techniques to investigate the structure, dynamics, and function of molecules such as proteins, nucleic acids, and lipids. Molecular biophysicists apply their knowledge to design drugs, understand disease processes, and develop new technologies for use in biotechnology, pharmaceuticals, and materials science.
Computational Chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to study chemical systems. One of the primary goals of computational chemistry is to provide insights into the behavior of chemical systems that are difficult or impossible to study experimentally. This includes systems that are too large, too complex. Computational chemistry is also useful for understanding the fundamental principles that govern chemical reactions, and for designing new molecules with specific properties.
Computational Biology
Computational biology is an interdisciplinary field that combines the principles of computer science, mathematics, and statistics with the study of biology. It involves the development of computational methods and tools to analyze and interpret large biological datasets, One of the primary goals of computational biology is to gain insights into complex biological systems, By analyzing these systems using computational approaches
Spectroscopy
Spectroscopy is a branch of science that deals with the study of the interaction between matter and electromagnetic radiation. It involves the use of various techniques to measure and analyze the spectral properties of matter, including its absorption, emission, and scattering of light. spectroscopy is a versatile and powerful tool for the study of matter, with applications in fields ranging from analytical chemistry and materials science to biology and medicine.
Forensic Science
Forensic science is the application of scientific principles and techniques to the investigation of criminal cases and other legal matters. It involves the use of a wide range of scientific disciplines, including biology, chemistry, physics, and mathematics, to analyze and interpret evidence collected from crime scenes. Forensic science plays a vital role in the criminal justice system, helping to uncover the truth behind criminal cases and bring justice to victims using scientific techniques and technology.
Molecular Docking
Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. The goal of ligand-protein docking is to predict the predominant binding mode(s) of a ligand with a protein of known three-dimensional structure.
Molecular Dynamics
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system.
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Quantum Mechanics
Quantum Mechanics is the branch of mechanics that deals with the mathematical description of the motion and interaction of subatomic particles, incorporating the concepts of quantization of energy, wave–particle duality, the uncertainty principle, and the correspondence principle.
Drug Discovery
Drug discovery is the process of identifying new medications and therapies to treat or prevent diseases. It involves a wide range of scientific methods. Drug discovery is a critical area of research, with the potential to improve the lives of millions of people by providing new treatments and therapies for a wide range of diseases.
Drug Modelling
Drug modeling can significantly accelerate the drug discovery process, Drug modeling involves the use of a variety of computational methods and tools, including molecular docking, molecular dynamics simulations, and quantitative structure-activity (QSAR) modeling. These techniques can be used to predict how a drug candidate will interact with its target molecule, and to optimize the drug's structure and properties to enhance its effectiveness, reduce potential side effects, and to help bring new treatments and therapies to patients more quickly.
Drugs Designing
Drug designing, also known as rational drug design, is a process used by pharmaceuticals to create new medications and therapies for treating various diseases. This process involves identifying a target molecule, such as a protein or enzyme, that is involved in the disease pathway and then designing a molecule that can interact with the target molecule in a specific way to produce the desired therapeutic effect.
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