Results 251 to 260 of about 754,901 (303)

From mechanistic modeling to AI-driven design: computational strategies for targeting the γ-secretase complex. [PDF]

Brief Bioinform
Das S, Rao Padubidri S, K V S, Shetty KS, Jena R, K R H, Dehury B, Pandurangan AP.   +7 more
europepmc   +1 more source

Discovery of a triple-site inhibitor targeting bacterial methionyl-tRNA synthetase through combined drug repurposing screening and generative AI-assisted optimization. [PDF]

Nucleic Acids Res
Su J, Qiao A, Huang W, Xu J, Lu F, Zhang H, Deng Q, Zou J, Wang Z, Lei J, Zhou H.   +10 more
europepmc   +1 more source

The evolving role of structural biology in pharma: integration of X-ray crystallography, cryo-electron microscopy and beyond. [PDF]

Acta Crystallogr D Struct Biol
Chrencik JE, Su HP, Gomez Llorente Y, Palte RL, Klein DJ, Hayes RP, Antine SP, Asmar-Rovira GA, Bertoletti N, Byrne NJ, Carroll BL, Cordeiro CD, Curfman K, Dutko J, Eddins MJ, Fischmann T, Govindarajan B, Hecksel CW, Ho T, Hollenstein K, Hong MR, Hruza A, Ishchenko A, Jaime-Garza M, Jaremko MJ, Knox HL, Kostas J, Krishnamurthy H, Manolaridis I, Noland CL, Partridge AT, Patel SB, Reichert P, Reid JC, Felisberto-Rodrigues C, Shintre CA, Shipman JM, Tamilselvan E, Walker ME, Walker SN, Wang R, Wright KM, Yen TJ, Yoo BK, Gabelli SB.   +44 more
europepmc   +1 more source

Lead-lag relationship between futures and spot markets in Greece: 1999 - 2001

, 2007
Floros, Christos, Vougas, D.
core  

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Fragment-based lead discovery

Nature Reviews Drug Discovery, 2004
Fragment-based lead discovery is gaining momentum in both large pharmaceutical companies and biotechnology laboratories as a complementary approach to traditional screening. This is because fragment-based approaches require significantly fewer compounds to be screened and synthesized, and are showing a high success rate in generating chemical series ...
David C Rees, Miles Congreve, Christopher W Murray   +2 more
exaly   +3 more sources

Lead discovery using molecular docking

Current Opinion in Chemical Biology, 2002
As the structures of more and more proteins and nucleic acids become available, molecular docking is increasingly considered for lead discovery. Recent studies consider the hit-rate enhancement of docking screens and the accuracy of docking structure predictions. As more structures are determined experimentally, docking against homology-modeled targets
Brian K Shoichet, Binqing Wei, John J Irwin   +2 more
exaly   +3 more sources

Novel strategies in antifungal lead discovery

Current Opinion in Microbiology, 2002
There have been significant developments in fungal genomics over the past year. The recently released genome sequences of Aspergillus fumigatus and Cryptococcus neoformans have provided unprecedented opportunities for comparative genomics studies of many clinically relevant fungal pathogens.
Howard Bussey, Terry Roemer
exaly   +3 more sources

Modern Drug Discovery Technologies: Opportunities and Challenges in Lead Discovery

Combinatorial Chemistry & High Throughput Screening, 2011
The identification of promising hits and the generation of high quality leads are crucial steps in the early stages of drug discovery projects. The definition and assessment of both chemical and biological space have revitalized the screening process model and emphasized the importance of exploring the intrinsic complementary nature of classical and ...
Rafael V C, Guido, Glaucius, Oliva, Adriano D, Andricopulo   +2 more
openaire   +3 more sources

Microdosing in Early Lead Discovery

Bioanalysis, 2010
Microdosing provides a tool to enhance drug development by initiating human studies prior to Phase I studies. The purpose is to assist in the go versus no-go decision-making process and to eliminate early ineffective compounds from the drug pipeline. Selection of multiple potential leads can be performed at the clinical stage instead of in preclinical ...
Jekunen, A.P., Pauwels, E.K.J., Kairemo, K.J.A.   +2 more
openaire   +3 more sources