Results 161 to 170 of about 163,670 (314)

Molecular modelling principles and applications

, 2001
This important new edition is for graduate students studying Molecular Modelling, Computational Chemistry within Chemistry, Medicinal Chemistry and Biochemistry. Postgraduates and researchers in academia and in the chemical and pharmaceutical industries.
Leach, Andrew R.
core  

Structure guided design and molecular modelling of a novel peptide-SWCNT biosensor targeting NS1 dengue virus. [PDF]

RSC Adv
Syaifie PH, Putri SA, Aliya F, Jauhar MM, Wakhid MFR, Mardliyati E, Siburian R, Whulanza Y, Anshori I.   +8 more
europepmc   +1 more source

Hippo pathway at the crossroads of stemness and therapeutic resistance in breast cancer

Molecular Oncology, EarlyView.
Dysregulation of the Hippo pathway drives nuclear accumulation of YAP/TAZ, activating stemness‐related transcriptional programs that sustain breast cancer stemness and fuel therapeutic resistance across subtypes, underscoring Hippo signaling as a targetable vulnerability. Figure created and edited with BioRender.com.
Giulia Schiavoni, Antonella Palmese, Stefano Scalera, Laura Cipriani, Davide Mascolo, Patrizia Vici, Teresa Arcuri, Lorena Filomeno, Eriseld Krasniqi, Giovanni Blandino, Giulia Bon, Marcello Maugeri‐Saccà   +11 more
wiley   +1 more source

Quantum and molecular modelling of abrocitinib as a potential disruptor of cell polarity in colorectal cancer. [PDF]

Sci Rep
Mathias GE, Iwuala LC, Ikenyirimba OJ, Obannaya SN, Ekep-Obasi MR, Ebenso EE.   +5 more
europepmc   +1 more source

Deciphering transcriptional plasticity in pancreatic ductal adenocarcinoma reveals alterations in sensory neuron innervation

Molecular Oncology, EarlyView.
Pancreatic sensory neurons innervating healthy and PDAC tissue were retrogradely labeled and profiled by single‐cell RNA sequencing. Tumor‐associated innervation showed a dominant neurofilament‐positive subtype, altered mitochondrial gene signatures, and reduced non‐peptidergic neurons.
Elena Genova, Michele Montrone, Uday Rangaswamy, Francesco Diversi, Irene Schiavo, Denise Ferrarini, Roberta Di Florio, Irene Longo, Michele Coscia, Nicola Zamboni, Giorgia Demontis, Lisa Veghini, Vincenzo Corbo, Remo Sanges, Paul Heppenstall   +14 more
wiley   +1 more source

Molecular Modelling in Bioactive Peptide Discovery and Characterisation. [PDF]

Biomolecules
Agoni C, Fernández-Díaz R, Timmons PB, Adelfio A, Gómez H, Shields DC.   +5 more
europepmc   +1 more source

Differential expression of cancer‐related genes supports prediction of poor response to first‐line treatments in T‐ALL pediatric patients with high minimal residual disease

Molecular Oncology, EarlyView.
In the present work, we have identified a transcriptional signature based on the differential expression of six genes (BCL2&MAST4, HSH2D&LAT2, METRN&PITPNM2) that would facilitate the early detection of T‐cell acute lymphoblastic leukemia (T‐ALL) patients prone to a poor treatment response and could be implemented at diagnosis, along with other risk ...
Antonio Lahera, Laura Vela‐Martín, Pablo Fernández‐Navarro, José Luis López‐Lorenzo, Javier Cornago, Pilar Llamas, Eduardo Pérez‐Gómez, José Luis Marín‐Rubio, Manuel Fresno, Javier Santos, José Fernández‐Piqueras, María Villa‐Morales   +11 more
wiley   +1 more source

Molecular dynamics studies of anomalous transport in rarefied gas flows

, 2010
We investigate the thermodynamically non-equilibrium gas dynamics by measuring molecular free path distribution functions, inter-molecular collision rates and wall dependent mean free path (MFP) profiles using the molecular dynamics (MD) method.
Dongari, Nishanth, Zhang, Yonghao, Reese, Jason   +2 more
core  

Molecular Modelling of the Adsorption and Delivery of α-Pinene and Similar Terpenes of Essential Oils on Montmorillonite Surfaces. [PDF]

Nanomaterials (Basel)
Kanwal S, Hernández-Laguna A, Sainz-Díaz CI.   +2 more
europepmc   +1 more source

Novel Antiviral Agents: Synthesis, Molecular Modelling Studies and Biological Investigation. [PDF]

Viruses, 2023
Brogi S.
europepmc   +1 more source