Sygnature Discovery

MAY 9, 2022

Colin Sambrook-Smith, Director of Computational Sciences at Sygnature Discovery commented: “Late-stage lead optimisation projects routinely generate substantial data sets which are ideally placed for exploitation by AI and Machine Learning technologies.

Computational Chemistry 52

Computational Chemistry Pharmaceutical Companies Science Drugs 52

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. Back to Lynette, though.

Computational Chemistry 52

Computational Chemistry International Science Pharmaceuticals 52

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. With any luck, we’ll figure out our landing gear next.

RNA 52

RNA Small Molecule Bioinformatics Computational Chemistry 52

LifeSciVC

APRIL 8, 2025

Nimbus Therapeutics has leveraged modular drug discovery and computational chemistry platforms that align with DARPA- and BARDA-style interests in scalable, rapid-response therapeutic development. Beneath that lies formulation science, packaging design, and delivery hardware. Were already seeing this play out.

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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 40

Small Molecule Computational Chemistry Engineering Clinical Development 40

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. She is an active voice for diversity and inclusion in the Sciences.

Organic Chemistry 45

Organic Chemistry Computational Chemistry Small Molecule Disease 45

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 40

Fragment Screening Computational Chemistry Engineering Drugs 40

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.

Drugs 52

Drugs Computational Chemistry FDA Approval Research 52