Results 1 to 10 of about 49,110 (149)
The importance of the quaternary structure to represent conformational ensembles of the major Mycobacterium tuberculosis drug target [PDF]
Scientific Reports, 2019 Flexibility is a feature intimately related to protein function, since conformational changes can be used to describe environmental changes, chemical modifications, protein-protein and protein-ligand interactions.
Renata Fioravanti Tarabini +3 more
doaj +2 more sources
Clustering molecular dynamics trajectories for optimizing docking experiments. [PDF]
Comput Intell Neurosci, 2015 Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the feasibility of this task.
De Paris R +4 more
europepmc +2 more sources
Contribuições ao Controle Current Programmed Mode (CPM) Aplicado a Conversores CC-CC
Eletrônica de Potência, 2021 Apesar de muito difundido na indústria, a estratégia de controle CPM aplicada a conversores CC-CC carece de discussões científicas e uma completa metodologia de projeto para sua correta implementação.
Rogerio Luiz da Silva Júnior +3 more
doaj +1 more source
Brazilian Journal of Radiation Sciences, 2016 O objetivo deste trabalho é publicar os resultados obtidos de um exercício de intercomparação que envolve a modelagem e simulação de um feixe clínico de um acelerador linear de 6 MV em um campo 10x10 cm², utilizando dois diferentes códigos de Monte Carlo,
Luiz Antônio Castelo e Silva +7 more
doaj +1 more source
MÉTODO PARA SIMULAÇÃO DE MOAGEM EM MOINHO DE BOLAS
Holos, 2014 O método de Bond para dimensionamento de moinho de bolas tem sido utilizado nos últimos 60 anos. Baseado no ensaio de WI este método é aplicável principalmente em circuitos tradicionais, os quais incluem estágios de britagem seguidos por moagem em ...
WELLINGTON LACERDA GOMES
doaj +1 more source
Evidence-Based Complementary and Alternative Medicine, Volume 2015, Issue 1, 2015., 2015 This study compared the interrater agreement for pattern differentiation and acupoints prescription between two groups of human patients simulated with different diagnostic outcomes. Patients were simulated using a dataset about zangfu patterns and separated into groups (n = 30 each) according to the diagnostic outcome determined by a computational ...
Ingrid Jardim de Azeredo Souza Oliveira +2 more
wiley +1 more source
Prediction of the Linear and Nonlinear Optical Properties of a Schiff Base Derivatives via DFT
Advances in Condensed Matter Physics, 2019 In this work, the density functional theory (DFT) calculation combined with a polarizable continuum model (PCM) was used to study the solvent media effects on the electrical and geometrical behaviors of the Schiff-base derivative, (E)-4-[({4-[(pyridin-2 ...
Clodoaldo Valverde +4 more
doaj +1 more source
Eletrônica de Potência, 2020 Este trabalho propõe uma modelagem de pequenos sinais em eixos síncronos para estruturas de controle hierárquico aplicado ao paralelismo de UPSs trifásicas onde são incluídas todas as malhas de controle. São consideradas as malhas internas de corrente e
William A. Venturini +4 more
doaj +1 more source
Scientific Reports, 2017 The cellular milieu is a complex and crowded aqueous solution. Macromolecular crowding effects are commonly studied in vitro using crowding agents. The aim of the present study was to evaluate the effects, if any, of macromolecular synthetic crowding ...
Mariane Rotta +6 more
doaj +1 more source
BioMed Research International, Volume 2013, Issue 1, 2013., 2013 Molecular docking simulations of fully flexible protein receptor (FFR) models are coming of age. In our studies, an FFR model is represented by a series of different conformations derived from a molecular dynamic simulation trajectory of the receptor. For each conformation in the FFR model, a docking simulation is executed and analyzed.
Renata De Paris +4 more
wiley +1 more source