Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics [PDF]
, 2013 We present the ProCS method for the rapid and accurate prediction of protein backbone amide proton chemical shifts - sensitive probes of the geometry of key hydrogen bonds that determine protein structure.
Boomsma, Wouter +6 more
core +8 more sources
Aperiodicity, Star-freeness, and First-order Logic Definability of Operator Precedence Languages [PDF]
Logical Methods in Computer Science, 2023 A classic result in formal language theory is the equivalence among non-counting, or aperiodic, regular languages, and languages defined through star-free regular expressions, or first-order logic.
Dino Mandrioli +2 more
doaj +1 more source
Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics [PDF]
, 2011 We validate here the Two-Phase Thermodynamics (2PT) method for calculating the standard molar entropies and heat capacities of common liquids. In 2PT, the thermodynamics of the system is related to the total density of states (DoS), obtained from the ...
Goddard, William A., III +2 more
core +2 more sources
Novel Kernel Orthogonal Partial Least Squares for Dominant Sensor Data Extraction
IEEE Access, 2020 Orthogonal Partial Least Squares (OPLS) methods are aimed at finding the dominant factors from predictor variables that can maximize cross-covariance between the factors themselves and response variables while a high correlation between them should also ...
Bo-Wei Chen
doaj +1 more source
Early symptoms and sensations as predictors of lung cancer: a machine learning multivariate model. [PDF]
, 2019 The aim of this study was to identify a combination of early predictive symptoms/sensations attributable to primary lung cancer (LC). An interactive e-questionnaire comprised of pre-diagnostic descriptors of first symptoms/sensations was administered to ...
Bernhardson, B-M. +9 more
core +1 more source
Metabolic fingerprinting to assess the impact of salinity on carotenoid content in developing tomato fruits [PDF]
, 2016 As the presence of health-promoting substances has become a significant aspect of tomato fruit appreciation, this study investigated nutrient solution salinity as a tool to enhance carotenoid accumulation in cherry tomato fruit (Solanum lycopersicum L ...
Hanssens, Jochen +3 more
core +2 more sources
Chemical Engineering Transactions, 2021 Nowadays electronic noses (e-noses) are often prescribed in the permits of new or existing plants for a continuous monitoring of ambient air quality at receptors or plant fenceline.
Carmen Bax +3 more
doaj +1 more source
Feasibility of cinobufacini for the treatment of oral premalignant lesions: an open-label pilot trial [PDF]
Exploration of MedicineAim: This study aimed to explore the feasibility and preliminary efficacy of cinobufacini in patients with oral premalignant lesions (OPLs). Methods: Patients with histologically confirmed OPLs participated in an open-label uncontrolled pilot clinical ...
Yang Liu +8 more
doaj +1 more source
تأثیر اثرات ترمودینامیکی بر تغییرات انرژی و مقایسه‌ی برهم‌کنش‌های ساختاری در پروتئینِ گیرنده‌ی فاکتور رشد عصبی و آنزیم پروتئینی مؤثر در یادگیری [PDF]
مجله دانشگاه علوم پزشکی سبزوار, 2014 زمینه و هدف: دینامیک مولکولی، روشی برای شبیه‌سازی رفتار ترمودینامیکی مواد در سه فاز جامد، مایع و گاز با استفاده از نیرو، سرعت و مکان ذرات می‌باشد. دربین این عوامل، مهمترین عامل، نیرو است. در شبیه‌سازی دینامیک مولکولی کلاسیک، نیرو از پتانسیل کلاسیک به‌دست
ریحانه صباغزاده
doaj
APLICAÇÃO DA ESPECTROMETRIA DE MASSAS COM IONIZAÇÃO POR PAPER SPRAY E MÉTODO QUIMIOMÉTRICO OPLS-DA PARA O DIAGNÓSTICO DO CÂNCER DE PRÓSTATA PELA ANÁLISE DE AMOSTRAS DE URINA [PDF]
Química NovaAPPLICATION OF MASS SPECTROMETRY WITH PAPER SPRAY IONIZATION AND THE OPLS-DA CHEMOMETRIC METHOD FOR THE DIAGNOSIS OF PROSTATE CANCER BY ANALYSIS OF URINE SAMPLES.
Thifanny T. P. da Silva +6 more
doaj +1 more source