Results 51 to 60 of about 551,409 (217)

Identification of natural peptides from “PlantPepDB” database as anti-SARS-CoV-2 agents: A protein-protein docking approach

Phytomedicine Plus, 2023
Background: A global pandemic owing to COVID-19 infection has created havoc in the entire world. The etiological agent responsible for this viral outbreak is classified as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).
Priyanka Bhandu, Himanshu Verma, Baddipadige Raju, Gera Narendra, Shalki Choudhary, Manmeet Singh, Pankaj Kumar Singh, Om Silakari   +7 more
doaj   +1 more source

Molecular modeling for physical property prediction [PDF]

, 2006
Multiscale modeling is becoming the standard approach for process study in a broader framework that promotes computer aided integrated product and process design.
Joulia, Xavier, Gerbaud, Vincent
core  

Molecular modeling and QSAR studies of a set of indole and benzimidazole derivatives as H(4) receptor antagonists

, 2010
Histamine is an important biogenic amine, which acts with a group of four G-protein coupled receptors (GPCRs), namely H(1) to H(4) (H(1)R - H(4)R) receptors.
BRANDT, Carlos A., Carlos A. Brandt, FERREIRA, Elizabeth I., Elizabeth I. Ferreira, João Paulo S. Fernandes, FERNANDES, Joao Paulo S., Kerly Fernanda M. Pasqualoto, PASQUALOTO, Kerly Fernanda M.   +7 more
core   +1 more source

Applications of miRNAs in cardiac development, disease progression and regeneration

Stem Cell Research & Therapy, 2019
Development of the complex human heart is tightly regulated at multiple levels, maintaining multipotency and proliferative state in the embryonic cardiovascular progenitors and thereafter suppressing progenitor characteristics to allow for terminal ...
Jeremy Kah Sheng Pang, Qian Hua Phua, Boon-Seng Soh   +2 more
doaj   +1 more source

Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD

Communications Biology
The dissociation rate, or its reciprocal, the residence time (τ), is a crucial parameter for understanding the duration and biological impact of biomolecular interactions.
Giulia D’Arrigo, Daria B. Kokh, Ariane Nunes-Alves, Rebecca C. Wade   +3 more
doaj   +1 more source

Molecular modeling approach to predict a binding mode for the complex methotrexate-carboxypeptidase G(2)

, 2011
Carboxypeptidase G(2) (CPG(2)) is a zinc-metalloenzyme employed in a range of cancer chemotherapy strategies by activating selectively nontoxic prodrugs into cytotoxic drugs in tumor as well as in the treatment of intoxication caused by high-doses of the
Kerly Fernanda Mesquita Pasqualoto, Elizabeth Igne Ferreira, Ferreira, Elizabeth Igne, Mesquita Pasqualoto, Kerly Fernanda, Daniela Gonçales Rando, Turra, Kely Medeiros, Kely Medeiros Turra, Rando, Daniela Goncales [UNIFESP]   +7 more
core   +1 more source

Aminoglycoside induced nephrotoxicity: molecular modeling studies of calreticulin-gentamicin complex

, 2011
Gentamicin is a member of aminoglycoside group of broad spectrum antibiotics. It impairs protein synthesis by binding to A site of the 30S subunit of bacterial ribosomes. One of the main side effects of this drug is nephrotoxicity.
Gururao Hariprasad, Rani, Komal, Alagiri Srinivasan, Hariprasad, Gururao, Kumar, Manoj, Kaur, Punit, Manoj Kumar, Komal Rani, Srinivasan, Alagiri, Punit Kaur   +9 more
core   +1 more source

Molecular psychiatry of zebrafish

, 2014
Due to their well-characterized neural development and high genetic homology to mammals, zebrafish (Danio rerio) have emerged as a powerful model organism in the field of biological psychiatry.
Parker, M. O., Stewart, AM, Stewart, A. M., Stewart, A. M ., Ullmann, J. F. P., Norton, WHJ, Ullmann, JFP, Kalueff, A. V., Gerlai, R, Norton, W. H. J., Brennan, C. H., Gerlai, R., Brennan, CH, Parker, MO, Kalueff, AV   +14 more
core   +1 more source

Chemical and electrochemical studies of the inhibition performance of hydro-alcoholic extract of used coffee grounds (HECG) for the corrosion of C38 steel in 1M hydrochloric acid

Egyptian Journal of Petroleum, 2020
The corrosion protection of C38 steel in 1M HCl solution with hydro-alcoholic used coffee grounds extract (HECG) was studied using measurements of hydrogen gas evolution, potentiodynamic polarization and electrochemical impedance spectroscopy.
Fatima Bouhlal, Najoua Labjar, Farah Abdoun, Aimad Mazkour, Malika Serghini-Idrissi, Mohammed El Mahi, El Mostapha Lotfi, Abdelmajid Skalli, Souad El Hajjaji   +8 more
doaj   +1 more source

Isomorphs in Model Molecular Liquids

The Journal of Physical Chemistry B, 2012
20 ...
Ingebrigtsen, Trond, Schrøder, Thomas, Dyre, J. C.; id_orcid 0000-0002-0770-5690   +2 more
openaire   +4 more sources