Add to ORKGQuantum mechanics is especially useful in drug design when the mode of action of the drug involves a chemical reaction. Some advantages as well as caveats about the role of quantum mechanics in molecular modeling are reviewed
Importance of the field. The development of quantum mechanics (QM) was perhaps the greatest intellec...
Over recent decades, the increase in computational resources, coupled with the popularity of competi...
Since its first appearance in 1976, the quantum mechanics/molecular mechanics (QM/MM) approach has m...
In this article, we review some recent (covering approximately the last four years) applications of ...
Understanding the inherent chemical and physical properties of chemotherapeutic drugs at the detaile...
This manuscript focuses on the application of molecular modeling and structure-informed design (SID)...
Molecular modeling techniques play a relevant role in drug design providing detailed information at ...
The use of computational quantum chemical methods to aid drug discovery is surveyed. An overview of ...
Computer-Aided Molecular Design (CAMD) enables the automated exploration of chemical space and thus ...
Computational approaches have become an established and valuable component of pharmaceutical researc...
Medicinal chemistry is a multidisciplinary subject that integrates knowledge from a variety of field...
Drug discovery and development is a time-consuming and cost-intensive process. Computer-aided drug d...
Quantum chemistry employs techniques in mathematics, physics and chemistry to understand the behavio...
Innovative biomedical techniques operational at the nanoscale level are being developed in therapeut...
Today computational chemistry is a consolidated tool in drug lead discovery endeavors. Due to method...
Importance of the field. The development of quantum mechanics (QM) was perhaps the greatest intellec...
Over recent decades, the increase in computational resources, coupled with the popularity of competi...
Since its first appearance in 1976, the quantum mechanics/molecular mechanics (QM/MM) approach has m...
In this article, we review some recent (covering approximately the last four years) applications of ...
Understanding the inherent chemical and physical properties of chemotherapeutic drugs at the detaile...
This manuscript focuses on the application of molecular modeling and structure-informed design (SID)...
Molecular modeling techniques play a relevant role in drug design providing detailed information at ...
The use of computational quantum chemical methods to aid drug discovery is surveyed. An overview of ...
Computer-Aided Molecular Design (CAMD) enables the automated exploration of chemical space and thus ...
Computational approaches have become an established and valuable component of pharmaceutical researc...
Medicinal chemistry is a multidisciplinary subject that integrates knowledge from a variety of field...
Drug discovery and development is a time-consuming and cost-intensive process. Computer-aided drug d...
Quantum chemistry employs techniques in mathematics, physics and chemistry to understand the behavio...
Innovative biomedical techniques operational at the nanoscale level are being developed in therapeut...
Today computational chemistry is a consolidated tool in drug lead discovery endeavors. Due to method...
Importance of the field. The development of quantum mechanics (QM) was perhaps the greatest intellec...
Over recent decades, the increase in computational resources, coupled with the popularity of competi...
Since its first appearance in 1976, the quantum mechanics/molecular mechanics (QM/MM) approach has m...