Software
Tripos SYBYL-X 1.2.0.10194 with Prodat & Orchestrar Databases 0808.231
Tripos SYBYL-X 1.2.0.10194 with Prodat & Orchestrar Databases 0808.231 Free & Full Download
Tripos SYBYL-X 1.2.0.10194 with Prodat & Orchestrar Databases 0808.231 | 9.72 GB
Powerful software solution combines in itself all the modern tools of molecular modeling, which provides everything you need to get the results in the shortest possible time.
Organized in 1979 by an American company Tripos LP, was a pioneer in the development of software for modeling of drugs and substances in the pharmaceutical and food industries. Currently, software solutions company to effectively assist its innovative methods of how many large enterprises and research institutes to accelerate identification and optimize new compounds that have the potential to become market leaders in pharmaceuticals, foods, spices and perfume aromas. The company is headquartered in St.Louis, Missouri, with offices located in more than 46 countries and employs more than 1000 clients.
Molecular modeling - a collective name referring to the theoretical approaches and computational methods for modeling the behavior of molecules or images. These methods are used computational chemistry, computational biology and materials science for studying molecular systems of various sizes. Simple calculations can be performed manually, but computers are becoming indispensable in the calculation of systems of any reasonable scale. A common feature of methods of molecular modeling is an atomistic level of description of molecular systems - the smallest particles are atoms or small groups of atoms. This is in contrast molecular modeling of quantum chemistry, which explicitly takes into account the electrons. Thus, the advantage of molecular modeling is less difficulty in describing the systems, allowing consideration of a large number of particles in the calculations. Currently, methods of molecular modeling have become commonplace in the study of the structure, dynamics and thermodynamics of inorganic, biological and polymer systems.
Tripos SYBYL-X software solution for molecular modeling, which provides the basic components for understanding molecular structure and properties of substances with special emphasis on the creation of new objects of the chemical.
Main features of Tripos SYBYL-X:
- 3D QSAR
Use the power of industry leading CoMFA in a new way to generate novel ideas for R-groups - predict the level of biological activity or potency based on structure-activity data, not just yes / no activity predictions
- Ligand-based virtual screening
Search millions of compounds overnight - don't miss hits because you only screened subsetted portions of your database
- Cheminformatics
Produce highly focused queries that avoid false positives using rich set of 3D queries; on-thefly conformational searching means you only store a single conformation of your molecules, keeping database size small and very transportable
- Docking
Custom tailor and fine-tune docking to a particular receptor site using information like SAR or known poses to improve rank ordering of ligands SYBYL-X provides new ways to approach life science molecular discovery projects, while extending the unrivaled, world-wide acceptance of the original SYBYL technology, known for its robust, well-validated science.
The main improvement in the Tripos SYBYL-X 1.2:
This new release focuses on streamlined workflows for life science researchers, with the addition of a new, project-oriented interface for QSAR studies, from obtaining data to delivering findings, suitable for the QSAR novice and expert alike. Additionally, researchers benefit from improvements to docking with the addition of Surflex-Dock's fragment-constrained docking and treatment of proteinflexibility.
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Molecular modeling - a collective name referring to the theoretical approaches and computational methods for modeling the behavior of molecules or images. These methods are used computational chemistry, computational biology and materials science for studying molecular systems of various sizes. Simple calculations can be performed manually, but computers are becoming indispensable in the calculation of systems of any reasonable scale. A common feature of methods of molecular modeling is an atomistic level of description of molecular systems - the smallest particles are atoms or small groups of atoms. This is in contrast molecular modeling of quantum chemistry, which explicitly takes into account the electrons. Thus, the advantage of molecular modeling is less difficulty in describing the systems, allowing consideration of a large number of particles in the calculations. Currently, methods of molecular modeling have become commonplace in the study of the structure, dynamics and thermodynamics of inorganic, biological and polymer systems.
Tripos SYBYL-X software solution for molecular modeling, which provides the basic components for understanding molecular structure and properties of substances with special emphasis on the creation of new objects of the chemical.
Main features of Tripos SYBYL-X:
- 3D QSAR
Use the power of industry leading CoMFA in a new way to generate novel ideas for R-groups - predict the level of biological activity or potency based on structure-activity data, not just yes / no activity predictions
- Ligand-based virtual screening
Search millions of compounds overnight - don't miss hits because you only screened subsetted portions of your database
- Cheminformatics
Produce highly focused queries that avoid false positives using rich set of 3D queries; on-thefly conformational searching means you only store a single conformation of your molecules, keeping database size small and very transportable
- Docking
Custom tailor and fine-tune docking to a particular receptor site using information like SAR or known poses to improve rank ordering of ligands SYBYL-X provides new ways to approach life science molecular discovery projects, while extending the unrivaled, world-wide acceptance of the original SYBYL technology, known for its robust, well-validated science.
The main improvement in the Tripos SYBYL-X 1.2:
This new release focuses on streamlined workflows for life science researchers, with the addition of a new, project-oriented interface for QSAR studies, from obtaining data to delivering findings, suitable for the QSAR novice and expert alike. Additionally, researchers benefit from improvements to docking with the addition of Surflex-Dock's fragment-constrained docking and treatment of proteinflexibility.
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