Protein secondary structure prediction: A survey of the state of the art
Protein secondary structure prediction (PSSP) is a fundamental task in protein science and
computational biology, and it can be used to understand protein 3-dimensional (3-D) …
computational biology, and it can be used to understand protein 3-dimensional (3-D) …
In silico drug design and molecular docking studies targeting Akt1 (RAC-alpha serine/threonine-protein kinase) and Akt2 (RAC-beta serine/threonine-protein kinase) …
MK Sharif Siam, A Sarker… - Journal of Biomolecular …, 2021 - Taylor & Francis
The overexpression of Akt1 (RAC-alpha serine/threonine-protein Kinase) and Akt2 (RAC-
beta serine/threonine-protein Kinase) is a hallmark of Oral Squamous Cell Carcinoma …
beta serine/threonine-protein Kinase) is a hallmark of Oral Squamous Cell Carcinoma …
Identification and In-Silico study of non-synonymous functional SNPs in the human SCN9A gene
Single nucleotide polymorphisms are the most common form of DNA alterations at the level
of a single nucleotide in the genomic sequence. Genome-wide association studies (GWAS) …
of a single nucleotide in the genomic sequence. Genome-wide association studies (GWAS) …
Exploring stevioside binding affinity with various proteins and receptors actively involved in the signaling pathway and a future candidate for diabetic patients
Introduction and Background: Diabetes is a chronic metabolic disease characterized by
elevated blood glucose levels and is one of the main global health concerns. Synthetic …
elevated blood glucose levels and is one of the main global health concerns. Synthetic …
Importance of solvent roles in molecular, electronic and dynamical properties, thermodynamic quantities, Mulliken charges, reactive analysis and molecular docking of …
M Lawrence, P Rajesh, A Irfan, S Muthu - Journal of Molecular Liquids, 2023 - Elsevier
Abstract The 2-Bromo-1H-imidazole-4, 5-dicarbonitrile (2B1HID) molecule is studied by
quantum mechanical and vibrational spectroscopic methods. Atoms In Molecules (AIM) was …
quantum mechanical and vibrational spectroscopic methods. Atoms In Molecules (AIM) was …
Newly Synthesized Oxygenated Xanthones as Potential P-Glycoprotein Activators: In Vitro, Ex Vivo, and In Silico Studies
E Martins, V Silva, A Lemos, A Palmeira… - Molecules, 2019 - mdpi.com
P-glycoprotein (P-gp) plays a crucial role in the protection of susceptible organs, by
significantly decreasing the absorption/distribution of harmful xenobiotics and, consequently …
significantly decreasing the absorption/distribution of harmful xenobiotics and, consequently …
Computational Modeling of complete HOXB13 protein for predicting the functional effect of SNPs and the associated role in hereditary prostate cancer
G Chandrasekaran, EC Hwang, TW Kang, DD Kwon… - Scientific reports, 2017 - nature.com
The human HOXB13 gene encodes a 284 amino acid transcription factor belonging to the
homeobox gene family containing a homeobox and a HoxA13 N-terminal domain. It is highly …
homeobox gene family containing a homeobox and a HoxA13 N-terminal domain. It is highly …
Structure-based drug design, synthesis and screening of MmaA1 inhibitors as novel anti-TB agents
H Veeravarapu, V Malkhed, KK Mustyala, R Vadija… - Molecular Diversity, 2021 - Springer
Tuberculosis is one of the leading causes of death across the world. The treatment regimens
for tuberculosis are well established, but still the control of the disease faces many …
for tuberculosis are well established, but still the control of the disease faces many …
From Ramachandran maps to tertiary structures of proteins
Sequence to structure of proteins is an unsolved problem. A possible coarse grained
resolution to this entails specification of all the torsional (Φ, Ψ) angles along the backbone of …
resolution to this entails specification of all the torsional (Φ, Ψ) angles along the backbone of …
Oxa-376 and Oxa-530 variants of β-lactamase: computational study uncovers potential therapeutic targets of Acinetobacter baumannii
Antimicrobial resistance is a major global health crisis, resulting in thousands of deaths each
year. Antibiotics' effectiveness against microorganisms deteriorates over time as multidrug …
year. Antibiotics' effectiveness against microorganisms deteriorates over time as multidrug …