Results 31 to 40 of about 228,098 (300)

Metabolic modeling and analysis of the metabolic switch in Streptomyces coelicolor [PDF]

, 2010
Background The transition from exponential to stationary phase in Streptomyces coelicolor is accompanied by a major metabolic switch and results in a strong activation of secondary metabolism.
Alam, Mohammad T., Breitling, Rainer, HASH(0x55aa09327868), Hodgson, D. A., Merlo, Maria E., Takano, Eriko, Wellington, E. M. H.   +6 more
core   +10 more sources

Employment of in silico in prediction of furan derivatives as efficient corrosion inhibitors for mild steel in acidic media

Chemistry Journal of Moldova: General, Industrial and Ecological Chemistry
This study highlights the role of computational approaches in advancing the design of corrosion inhibitors by virtually screening novel candidate molecules.
Maimoonah Khalid Qasim, Rabah Ali Khalil
doaj   +1 more source

In Silico Analyses of a Promising Drug Candidate for the Treatment of Amyotrophic Lateral Sclerosis Targeting Superoxide Dismutase I Protein

Pharmaceutics, 2023
Amyotrophic lateral sclerosis (ALS) is the most prevalent motor neuron disorder in adults, which is associated with a highly disabling condition. To date, ALS remains incurable, and the only drugs approved by the FDA for its treatment confer a limited ...
Gabriel Rodrigues Coutinho Pereira, Bárbara de Azevedo Abrahim-Vieira, Joelma Freire de Mesquita   +2 more
doaj   +1 more source

In silico and in vitro drug screening identifies new therapeutic approaches for Ewing sarcoma. [PDF]

, 2016
The long-term overall survival of Ewing sarcoma (EWS) patients remains poor; less than 30% of patients with metastatic or recurrent disease survive despite aggressive combinations of chemotherapy, radiation and surgery.
Alturkmani, Hani, Baltezor, Michael, Butte, Atul J, Chen, Bin, Flynn, Colleen A, Godwin, Andrew K, Hyter, Stephen, Ma, Yan, Neville, Kathleen A, Pessetto, Ziyan Y, Rosenthal, Howard G, Weir, Scott J   +11 more
core   +3 more sources

In Silico Prediction of Organ Level Toxicity: Linking Chemistry to Adverse Effects [PDF]

, 2017
In silico methods to predict toxicity include the use of (Quantitative) Structure-Activity Relationships ((Q)SARs as well as grouping (category formation) allowing for read-across.
Cronin, M.T.D, Enoch, S.J, Madden, J.C, Mellor, Claire, Przybylak, K, Richarz, A-N   +5 more
core   +1 more source

Framework for In Silico Toxicity Screening of Novel Odorants

Toxics
Toxicological risk assessment of chemicals without experimental toxicity data often relies on in silico predictions. However, models designed to predict inhalation toxicity associated with exposure to volatile chemicals in solution are unavailable.
Isaac Mohar, Brad C. Hansen, Destiny M. Hollowed, Joel D. Mainland   +3 more
doaj   +1 more source

In Silico Predictions of Endocrine Disruptors Properties [PDF]

Endocrinology, 2019
Abstract Endocrine-disrupting chemicals (EDCs) are a broad class of molecules present in our environment that are suspected to cause adverse effects in the endocrine system by interfering with the synthesis, transport, degradation, or action of endogenous ligands.
Melanie Schneider, Jean-Luc Pons, Gilles Labesse, William Bourguet   +3 more
openaire   +2 more sources

Using molecular mechanics to predict bulk material properties of fibronectin fibers [PDF]

, 2012
The structural proteins of the extracellular matrix (ECM) form fibers with finely tuned mechanical properties matched to the time scales of cell traction forces.
Bradshaw, Mark J., Cheung, Man C., Ehrlich, Daniel J., Smith, Michael L.   +3 more
core   +2 more sources

In Vitro and In Silico ADME Prediction [PDF]

, 2018
Pharmacokinetic issues have been identified as a major cause for the attrition of new chemical entities in drug discovery. High development costs and time investments are associated with the discovery of such issues during clinical drug development.
Effinger, Angela, O'Driscoll, Caitriona M., McAllister, Mark, Fotaki, Nikoletta   +3 more
openaire   +1 more source

Predictive Modeling of Proteins Encoded by a Plant Virus Sheds a New Light on Their Structure and Inherent Multifunctionality

Biomolecules
Plant virus genomes encode proteins that are involved in replication, encapsidation, cell-to-cell, and long-distance movement, avoidance of host detection, counter-defense, and transmission from host to host, among other functions.
Brandon G. Roy, Jiyeong Choi, Marc F. Fuchs   +2 more
doaj   +1 more source