A Survey of Computational Treatments of Biomolecules by Robotics-Inspired Methods Modeling Equilibrium Structure and Dynamic

Journal of Artificial Intelligence Research

More than fifty years of research in molecular biology have demonstrated that the ability of small and large molecules to interact with one another and propagate the cellular processes in the living cell lies in the ability of these molecules to assume and switch between specific structures under physiological conditions. Elucidating biomolecular structure and dynamics at equilibrium is therefore fundamental to furthering our understanding of biological function, molecular mechanisms in the cell, our own biology, disease, and disease treatments. By now, there is a wealth of methods designed to elucidate biomolecular structure and dynamics contributed from diverse scientific communities. In this survey, we focus on recent methods contributed from the Robotics community that promise to address outstanding challenges regarding the disparate length and time scales that characterize dynamic molecular processes in the cell. In particular, we survey robotics-inspired methods designed to obtain efficient representations of structure spaces of molecules in isolation or in assemblies for the purpose of characterizing equilibrium structure and dynamics. While an exhaustive review is an impossible endeavor, this survey balances the description of important algorithmic contributions with a critical discussion of outstanding computational challenges. The objective is to spur further research to address outstanding challenges in modeling equilibrium biomolecular structure and dynamics.

Stephen Hawking - Wikipedia


Stephen William Hawking CH CBE FRS FRSA (8 January 1942 – 14 March 2018)[14][15] was an English theoretical physicist, cosmologist, author and Director of Research at the Centre for Theoretical Cosmology within the University of Cambridge.[16][17] His scientific works included a collaboration with Roger Penrose on gravitational singularity theorems in the framework of general relativity and the theoretical prediction that black holes emit radiation, often called Hawking radiation. Hawking was the first to set out a theory of cosmology explained by a union of the general theory of relativity and quantum mechanics. He was a vigorous supporter of the many-worlds interpretation of quantum mechanics.[18][19] Hawking was an Honorary Fellow of the Royal Society of Arts (FRSA), a lifetime member of the Pontifical Academy of Sciences, and a recipient of the Presidential Medal of Freedom, the highest civilian award in the United States. In 2002, Hawking was ranked number 25 in the BBC's poll of the 100 Greatest Britons. He was the Lucasian Professor of Mathematics at the University of Cambridge between 1979 and 2009 and achieved commercial success with works of popular science in which he discusses his own theories and cosmology in general. His book, A Brief History of Time, appeared on the British Sunday Times best-seller list for a record-breaking 237 weeks. Hawking had a rare early-onset slow-progressing form of motor neurone disease (also known as amyotrophic lateral sclerosis and Lou Gehrig's disease), that gradually paralysed him over the decades.[20][21] Even after the loss of his speech, he was still able to communicate through a speech-generating device, initially through use of a hand-held switch, and eventually by using a single cheek muscle. Hawking was born on 8 January 1942[22] in Oxford to Frank (1905–1986) and Isobel Hawking (née Walker; 1915–2013).[23][24] Despite their families' financial constraints, both parents attended the University of Oxford, where Frank read medicine and Isobel read Philosophy, Politics and Economics.[24] The two met shortly after the beginning of the Second World War at a medical research institute where Isobel was working as a secretary and Frank was working as a medical researcher.[24][26] They lived in Highgate; but, as London was being bombed in those years, Isobel went to Oxford to give birth in greater safety.[27] Hawking had two younger sisters, Philippa and Mary, and an adopted brother, Edward.[28] In 1950, when Hawking's father became head of the division of parasitology at the National Institute for Medical Research, Hawking and his family moved to St Albans, Hertfordshire.[29][30]

Stephen Hawking Bridged Science and Popular Culture

WSJ.com: WSJD - Technology

The University of Cambridge professor was an iconic figure in both the scientific community and in popular culture, known for his keen mind and humor, as well as his striking physical challenges. Dr. Hawking had long battled with amyotrophic lateral sclerosis, which left him wheelchair-bound for most of his life. Commonly known as Lou Gehrig's disease or motor neuron disease, the condition damages the nerves that control movement and results in paralysis. Patients with ALS typically die within five years of diagnosis. Dr. Hawking, who was diagnosed in 1963 at the age of 21, is believed to have been the longest-living survivor, a fact that still perplexes neurologists.

Innovative AI Breath Analyzer Diagnoses Diseases by "Smell"


Imagine being able to know if you have Parkinson's disease, multiple sclerosis, liver failure, Crohn's diseases, pulmonary hypertension, chronic kidney disease, or any number of cancers based on a simple, non-invasive test of your breath. Breath analyzers to detect alcohol have been around for well over half a century--why not apply the same concept to detect diseases? A global team of scientists from universities in Israel, France, Latvia, China and the United States have developed an artificial intelligence (AI) system to detect 17 diseases from exhaled breath with 86 percent accuracy. The research team led by Professor Hassam Haick of the Technion-Israel Institute of Technology collected breath samples from 1404 subjects with either no disease (healthy control) or one of 17 different diseases. The disease conditions include lung cancer, colorectal cancer, head and neck cancer, ovarian cancer, bladder cancer, prostate cancer, kidney cancer, gastric cancer, Crohn's disease, ulcerative colitis, irritable bowel syndrome, idiopathic Parkinson's, atypical Parkinson ISM, multiple sclerosis, pulmonary hypertension, pre-eclampsia toxemia, and chronic kidney disease.

Stephen Hawking mourned by celebrities after his death at age 76

Daily Mail - Science & tech

The world today paid tribute to physicist Stephen Hawking, who died today at the age of 76. The famed British theoretical physicist passed away peacefully at his home in Cambridge this morning after a long battle with motor neurone disease, his family has revealed. And the celebrity and scientific world, including NASA, Katy Perry, and Piers Morgan, took to Twitter to pay their respects to the father of three. His theories unlocked a universe of possibilities that we & the world are exploring. The world just dropped a lot of IQ points.