Quantum chemistry simulations offers beguiling possibility of ‘solving chemistry’ | Research | Chemistry World
https://www.chemistryworld.com/news/quantum-chemistry-simulations-offers-beguiling-possibility-of-solving-chemistry/4011541.article
https://www.chemistryworld.com/news/quantum-chemistry-simulations-offers-beguiling-possibility-of-solving-chemistry/4011541.article
Chemistry World
Quantum chemistry simulations offers beguiling possibility of ...
Academics and tech giants are using neural networks to represent electronic behaviour
Textbook_of_Drug_Design_and_Discovery,_Fifth_Edition_by_Kristian.pdf
17.3 MB
Textbook of Drug Design and Discovery, Fifth Edition by Kristian Strømgaard, Povl Krogsgaard-Larsen, Ulf Madsen
Drug_Design_Structure_and_Ligand_Based_Approaches_by_Kenneth_M_Merz.pdf
34 MB
Drug Design Structure- and Ligand-Based Approaches by Kenneth M. Merz (editor), Dagmar Ringe (editor), Charles H. Reynolds (editor)
Water molecules dance in three
https://phys.org/news/2020-04-molecules.amp
https://phys.org/news/2020-04-molecules.amp
phys.org
Water molecules dance in three
An international team of scientists lead by Professor Martina Havenith from Ruhr-Universität Bochum (RUB) has been able to shed new light on the properties of water at the molecular level. In particular, ...
Scientists ‘strummed’ a molecule’s chemical bonds like guitar strings | Science News
https://www.sciencenews.org/article/scientists-strummed-molecule-chemical-bonds-like-guitar-strings/amp
https://www.sciencenews.org/article/scientists-strummed-molecule-chemical-bonds-like-guitar-strings/amp
Science News
Scientists ‘strummed’ a molecule’s chemical bonds like guitar strings | Science News
Scientists dragged an atomic force microscope tip, with a single carbon monoxide molecule dangling from it, across a chemical bond.
To the people working with drug discovery, here is a free webinar by the *American Chemical Society*:
* How drugs REALLY get into cells (it is not as the textbooks describe it):
Save your spot: http://app.connect.discoveracs.org/e/es?s=341921710&e=68290&elqTrackId=efd74c1a1b7a40299e524d6e5aa03bea&elq=1727b11ad2d44e7791389d3e468d2ed8&elqaid=1144&elqat=1
* How drugs REALLY get into cells (it is not as the textbooks describe it):
Save your spot: http://app.connect.discoveracs.org/e/es?s=341921710&e=68290&elqTrackId=efd74c1a1b7a40299e524d6e5aa03bea&elq=1727b11ad2d44e7791389d3e468d2ed8&elqaid=1144&elqat=1
First direct look at how light excites electrons to kick off a chemical reaction
https://phys.org/news/2020-05-electrons-chemical-reaction.amp
https://phys.org/news/2020-05-electrons-chemical-reaction.amp
phys.org
First direct look at how light excites electrons to kick off a chemical reaction
The first step in many light-driven chemical reactions, like the ones that power photosynthesis and human vision, is a shift in the arrangement of a molecule's electrons as they absorb the light's energy. ...
BIOINFORMATICS_HARSHAWARDHAN.pdf
22.2 MB
Bioinformatics: principles and applications
Next I'll post the following 7 videos of Prof. Cramer's course on Computational Chemistry: Foundations of Molecular Orbital Theory
Media is too big
VIEW IN TELEGRAM
0301 - Foundations of Molecular Orbital Theory LCAO
Media is too big
VIEW IN TELEGRAM
0301 - Foundations of Molecular Orbital Theory - Effective Hamiltonians
Media is too big
VIEW IN TELEGRAM
0303 - Foundations of Molecular Orbital Theory - Hückel Model
Media is too big
VIEW IN TELEGRAM
0304 - Semiempirical Molecular Orbital Theory Slater
Media is too big
VIEW IN TELEGRAM
0305 - Semiempirical Molecular Orbital Theory - Simplifications of the Fock Matrix
Media is too big
VIEW IN TELEGRAM
0306 - Semiempirical Molecular Orbital Theory - Simplifications of the Fock Matrix
Media is too big
VIEW IN TELEGRAM
0307 - Semiempirical Molecular Orbital Theory Modern Usage
Solutions-manual-for-Modern-Quantum-Chemistry.pdf
357.2 KB
Solutions manual for Modern Quantum Chemistry
Unexpected Scientific Insights into COVID-19 From AI Machine Learning Tool – SciTechDaily
https://scitechdaily.com/unexpected-scientific-insights-into-covid-19-from-ai-machine-learning-tool/amp/
https://scitechdaily.com/unexpected-scientific-insights-into-covid-19-from-ai-machine-learning-tool/amp/
SciTechDaily
Unexpected Scientific Insights into COVID-19 From AI Machine Learning Tool
A team of materials scientists at Lawrence Berkeley National Laboratory (Berkeley Lab) – scientists who normally spend their time researching things like high-performance materials for thermoelectrics or battery cathodes – have built a text-mining tool in…
On behalf of the Amber developers I am pleased to announce the release of AmberTools20 and Amber20. These are significant updates from earlier versions.
Amber is a suite of biomolecular MD and QC simulation programs. It began in the late 1970's, and is maintained by an active development community
For information about new features, downloading and installation, please
visit: https://ambermd.org/
Amber is a suite of biomolecular MD and QC simulation programs. It began in the late 1970's, and is maintained by an active development community
For information about new features, downloading and installation, please
visit: https://ambermd.org/
ambermd.org
The Amber Molecular Dynamics Package
Amber is a package of programs for
molecular dynamics simulations of proteins and nucleic acids
molecular dynamics simulations of proteins and nucleic acids