Released on July 12th 2018
TURBOMOLE 7.3v released. #DFT #TDDFT #TDHF #CCSD #D4 #X2C
Bengaluru: July 15, 2018 at 11:03PM
Bengaluru: July 12, 2018 at 12:04AM
Sequences and Assay Data Captured in a Single Platform CDD Vault recently updated the text readout size (now 65,000 characters) for both the Synonyms and Protocol Readouts to lay the groundwork for assisting researchers using biologics instead of traditional small molecules. CDD Vault has a powerful storage and query engine to store and mine your bioinformatics data. Now sequences and metadata can be directly associated with CDD’s best-in-class Biological Assay tools. #Bioinformatics #NGS #Sequence #Cloud #Data #AI
Bengaluru: July 11, 2018 at 10:22PM
A phonon is the elementary excitation in the quantum mechanical treatment of vibrations in a crystal lattice  or the quantum unit of a crystal lattice vibration.
PHONONS #VASP #Phonon #DFT #QM #Materials #Science #PBC
Bengaluru: July 05, 2018 at 10:28PM
In a solid, the free electron approximation is no longer valid, so to describe the behaviour of the electrons we need to use another approach. The Schrödinger equation fully describes the behaviour of electrons, when an appropriate Hamiltonian is used.
Electronic Band Structure #Materials #Science #VASP #DFT #Turbomole
Bengaluru: July 05, 2018 at 10:26PM
Using Cresset's Electrostatics to Inform 3D Molecular Design by Torch3D module in StarDrop Explain how Torch enables medicinal chemists to: >Design compounds with the confidence they are making the best decision at each round, leaving less to chance >Understand effects of scaffold replacements or modification experiments >Make sense of the accumulated SAR #StarDrop #MedChem #India #Zastra
Bengaluru: July 04, 2018 at 09:12PM
IC50 values are holding you back. Here are 5 reasons why replacing them with pIC50 will improve your SAR story.
Using pIC50 instead of IC50 Drug Discovery data #CDD #Zastra #India #ELN
Bengaluru: July 04, 2018 at 08:53PM