Drug Discovery World

AUGUST 3, 2023

Founded in 2011, the company delivers discovery solutions across medicinal, synthetic, scale-up, process and computational chemistry, as well as DMPK, in vitro biology and in vivo pharmacology.

Science 130

Science Computational Chemistry Marketing Research 130

Practical Cheminformatics

JANUARY 16, 2024

Property Prediction Machine Learning Methods for Small Data Challenges in Molecular Science [link] Practical guidelines for the use of gradient boosting for molecular property prediction [link] Application of message passing neural networks for molecular property prediction [link] Molecular Similarity Molecular Similarity: Theory, Applications, and (..)

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Targeted Protein Degradation Small Molecule Computational Chemistry Bioinformatics 141

Drug Discovery World

FEBRUARY 7, 2023

Computational chemistry In a recent study, Gaurav Sharma and Abhishek Thakurb from the Department of Chemistry, Michigan State University, USA, tested ChatGPT’s abilities in relation to the process of drug discovery, in particular, computational chemistry 4.

Computational Chemistry 130

Computational Chemistry Drugs Regulations Clinical Trials 130

Sygnature Discovery

APRIL 18, 2023

Our capabilities include medicinal chemistry, in vitro and in vivo biology, HTS, computational chemistry and informatics, DMPK, form and formulation and protein crystallography.

Computational Chemistry 52

Computational Chemistry Small Molecule Research Science 52

Drug Discovery World

JANUARY 21, 2024

Bortolato has more than 15 years of experience in computational chemistry and drug discovery at companies like BMS, Schrodinger, and Heptares Therapeutics, with over 50 scientific publications/patents. Machine learning (ML) and in particular AI generative methods are transforming drug discovery and development,” he says.

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Vaccine Computational Chemistry Animal Testing Engineering 130

Drug Discovery World

DECEMBER 13, 2022

Mansley is an experienced drug discovery scientist, having worked as a medicinal chemist at Eli Lilly and UCB Research, with a passion for applying computational chemistry and predictive modelling approaches for compound selection and design. The post Are claims of the success of AI in drug discovery backed by science?

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Practical Cheminformatics

DECEMBER 7, 2023

A recent editorial by Dean Brown in J Med Chem and follow-up posts by Keith Hornberger and Derek Lowe prompted me to think about how we train computational chemists and cheminformaticians for careers in drug discovery. It also brought to mind some unique differences between how computational chemistry is practiced in biotech and pharma.

Computational Chemistry 90

Computational Chemistry Pharmacokinetics Pharmaceutical Companies Drugs 90

Sygnature Discovery

MAY 9, 2022

We believe that Makya will allow us to blend our proven medicinal and computational chemistry expertise with the benefit of AI/ML technologies to impact compound design.

Computational Chemistry 52

Computational Chemistry Pharmaceutical Companies Science Pharmaceuticals 52

Sygnature Discovery

JULY 31, 2023

Founded in 2011, NuChem Sciences delivers expert integrated and standalone discovery solutions across medicinal, synthetic, scale-up, process and computational chemistry, as well as DMPK, in vitro biology and in vivo pharmacology.

Computational Chemistry 52

Computational Chemistry Science Pharmaceutical Companies Clinical Trials 52

Drug Discovery World

FEBRUARY 6, 2024

In another early 2024 deal, one-to-watch SandboxAQ acquired Good Chemistry, a computational chemistry company that uses AI, quantum and other advanced technologies to accelerate medicines research 3.

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Sygnature Discovery

MARCH 24, 2022

Sygnature’s first logo Led by founder Simon Hirst, this ambitious small Chemistry group hit the ground running, quickly developing strong relationships with customers and expanding into other scientific specialities like Computational Chemistry.

Computational Chemistry 52

Computational Chemistry International Science Pharmaceuticals 52

Drug Target Review

NOVEMBER 1, 2023

For example, in the screening stage of a project we are trying to find initial starting points for optimisation by our medicinal and computational chemistry colleagues. With all these diverse methods we characterise protein-ligand interactions in many ways.

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Fragment Screening Biochemical Assays Small Molecule Biophysical Assays 96

Drug Target Review

MAY 31, 2024

Working at the intersection of medicinal and computational chemistry as an early adopter of integrating in silico tools into the discovery process, I’ve seen first hand the technological advances that have been made over the past five-plus years.

Organic Chemistry 45

Organic Chemistry Computational Chemistry Small Molecule Disease 45

The Pharma Data

DECEMBER 13, 2020

As well as continuously upgrading and optimizing existing 9 major technology platforms, Viva has also invested heavily in the fields of Cryo-EM, Computational Chemistry/Biology, etc. Dr. Xueheng Cheng, CTO of Viva Biotech, introduced the ASMS technology platform.

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Small Molecule Computational Chemistry Pharmaceuticals Production 40

Molecular Design

SEPTEMBER 27, 2023

Drug discovery scientists, especially those with backgrounds in computational chemistry and cheminformatics, don’t always appreciate the importance of controlling exposure and the uncertainty in intracellular concentration always makes for a good stock question for speakers and panels of experts.

Computational Chemistry 110

Computational Chemistry Drugs Laboratories Production 110

Drug Discovery World

JULY 22, 2022

Psylo is leveraging medicinal chemistry, computational chemistry and pharmacology expertise to discover and develop psychedelic-inspired NCEs that target and act on specific receptors in the brain, explains Joshua Ismin, Psylo co-founder and CEO.

Computational Chemistry 246

Computational Chemistry Drugs Clinical Trials Packaging 246

Drug Discovery World

SEPTEMBER 6, 2023

BioPharmics has developed a series of algorithms and software for 3D ligand-based and structure-based computational drug design, including software for 2D to 3D ligand conversion and conformer generation, molecular docking, molecular similarity, and binding affinity prediction.

Small Molecule 130

Small Molecule Science Computational Chemistry Molecular Biology 130

Drug Hunter

JUNE 25, 2023

Oral Allosteric AR Modulator s request a trial You don’t have time to read everything, but you can’t afford to fall behind.

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Targeted Protein Degradation Computational Chemistry Licensing Licensing 130

Drug Discovery World

OCTOBER 17, 2022

Researchers have shown that the medication saracatinib shows promise as a treatment for idiopathic pulmonary fibrosis (IPF). .

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Drug Discovery World

MAY 4, 2023

Computers and computational chemistry grew simultaneously with experimental drug discovery technologies. The computational chemistry algorithms and force fields had developed in tandem with hardware, processors, parallel processing and supercomputers.

Computational Chemistry 130

Computational Chemistry Disease Drugs Laboratories 130

Molecular Design

AUGUST 2, 2020

Fragment-based lead discovery (FBLD) actually has origins in both crystallography [ V1992 | A1996 ] and computational chemistry [ M1991 | B1992 | E1994 ]. Measurement of affinity is important in fragment-to-lead work because it allows fragment-based structure-activity relationships to be established prior to structural elaboration.

Fragment Screening 52

Fragment Screening Computational Chemistry Engineering International 52

DrugBank

JUNE 27, 2024

  Advancements in artificial intelligence (AI) and computational technology promise to alleviate current database challenges, streamlining data extraction, integration, and maintenance.

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Drugs Pharma Companies Computational Chemistry Clinical Trials 72

Drug Target Review

SEPTEMBER 20, 2023

From 2005 to 2008 he carried out a DPhil (PhD) at Oxford on nanomaterials for quantum computation, followed by postdoctoral work on the prediction of crystal structures at University College London. Matthew subsequently put his computational chemistry skills to use in the defence sector.

Drugs 105

Drugs Metabolic Stability Computational Chemistry Pharmaceuticals 105

LifeSciVC

APRIL 27, 2023

The premise at the time was that putting computational chemistry in the primary position for new molecule ideation would upend the drug discovery paradigm. set up a “virtual project team,” leverage Schrödinger scientists to lead computational chemistry, and do all the wet work at CROs. It did just that.

Small Molecule 52

Small Molecule Computational Chemistry Engineering Clinical Development 52

The Pharma Data

NOVEMBER 15, 2020

We have fully equipped labs for all stages of drug discovery, including medicinal chemistry, cellular pharmacology, and molecular pharmacology, as well as an “ in silico ” lab for our computational chemistry, bioinformatics, and data mining activities.

Small Molecule 52

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Drug Discovery World

NOVEMBER 8, 2023

Optimising drug properties This session will begin with chairperson’s remarks from Andreas Evers, PhD, Principal Scientist, Computational Chemistry & Biology, Global Research & Development Discovery Technology, Merck Healthcare KGaA.

Engineering 162

Engineering Protein Expression Therapies Science 162

Drug Discovery World

SEPTEMBER 5, 2022

“The advent of big data has made it possible to develop machine learning methods to predict potential drug candidate compounds in cancer as well as identify novel anti-cancer targets,” says Dr Sivanesan Dakshanamurthy, Professor and Director of Computational Chemistry and Drug Discovery Resources at Georgetown University Medical Center. “It

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Dark Matter Blog

AUGUST 31, 2020

Emblematic of Arrakis’ collaborative approach to science, almost all of the scientists in the lab—or, in the case of our colleagues in computational chemistry and biology, on their computers—at the time contributed to developing the PEARL-seq platform.

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RNA Small Molecule Bioinformatics Computational Chemistry 52

Drug Discovery World

JUNE 30, 2023

Taking a new computational approach to the problem, a study published in Nature Neuroscience has shed new light on the relationship between the microbiome and autism. A new study has revealed consistent biological signals in the human microbiome and other physiological signals associated with autism.

Engineering 130

Engineering Research Computational Chemistry Treatment 130

Nvidia Developer: Drug Discovery

JUNE 24, 2022

Published in Nature Machine Intelligence , the review details numerous advances in challenges from molecular simulation and protein structure determination to generative drug design that are accelerating the computer-aided drug discovery workflow.

Computational Chemistry 52

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