lesnopen.blogg.se - Qm for mac

QMForge is a program used to analyze the results of quantum chemistry (DFT) calculations.

Leverage the accuracy and speed of divide & conquer linear-scaling QM.

Improve QSAR (Quantitative Structure-Activity Relationships) understanding with Quantum Chemistry Molecular Field Analysis (MFA).

Understand the Pair-Wise Energy Decomposition of protein-ligand complex interaction.

Study large biomolecules of 500 or 15,000 atoms with QM.

Predict ligand-induced NMR (Nuclear Magnetic Resonance) Chemical Shift Perturbation on protein.

Study protein-ligand complexes containing metals.

Build computational expensive QM descriptors for QSAR & ADME/Tox Models.

Use QM based Scoring Function to predict protein-ligand binding affinities on a daily basis.

QuantumBio offers the following lead optimization capabilities for your drug discovery investment: Researchers focus on a number of considerations in optimizing a drug candidate, some of those characteristics are Potency, Toxicity, Metabolism and Formulation. Whether you are discovering leads through Virtual Screening (VS), High Through Screening (HTS) or combining VS & HTS, Lead Optimization involves complex, and expensive multi-step process of refining the chemical structure of a compound to improve its drug characteristics with the goal of producing a preclinical drug candidate.

The pressure is on: optimize lead compounds faster and at less cost. QuantumBio provides Pharmaceutical and Biotech companies with patent pending fast Quantum Mechanical (QM) solutions for Lead Optimization!