Parameter estimation in stochastic chemical kinetic models using derivative free optimization and bootstrapping [0.03%]
基于无导数优化和自助法的随机化学动力模型参数估计
Rishi Srivastava,James B Rawlings
Rishi Srivastava
Recent years have seen increasing popularity of stochastic chemical kinetic models due to their ability to explain and model several critical biological phenomena. Several developments in high resolution fluorescence microscopy have enabled...
Max A Fahrenkopf,B Erik Ydstie,Tamal Mukherjee et al.
Max A Fahrenkopf et al.
We develop a non-convex non-linear programming problem that determines the minimum run time to resolve different lengths of DNA using a gel-free micelle end-labeled free solution electrophoresis separation method. Our optimization framework...
Protein aggregation and lyophilization: Protein structural descriptors as predictors of aggregation propensity [0.03%]
蛋白质聚集与冷冻干燥：蛋白质结构描述符作为聚集倾向预测因子
Brock C Roughton,Lavanya K Iyer,Esben Bertelsen et al.
Brock C Roughton et al.
Lyophilization can induce aggregation in therapeutic proteins, but the relative importance of protein structure, formulation and processing conditions are poorly understood. To evaluate the contribution of protein structure to lyophilizatio...
Use of glass transitions in carbohydrate excipient design for lyophilized protein formulations [0.03%]
糖基赋形剂在蛋白冻干配方中的玻璃化转变的应用
Brock C Roughton,E M Topp,Kyle V Camarda
Brock C Roughton
This work describes an effort to apply methods from process systems engineering to a pharmaceutical product design problem, with a novel application of statistical approaches to comparing solutions. A computational molecular design framewor...
A computational molecular design framework for crosslinked polymer networks [0.03%]
交联聚合物网络的计算分子设计框架
J C Eslick,Q Ye,J Park et al.
J C Eslick et al.
Crosslinked polymers are important in a very wide range of applications including dental restorative materials. However, currently used polymeric materials experience limited durability in the clinical oral environment. Researchers in the d...
Equivalence of on-Lattice Stochastic Chemical Kinetics with the Well-Mixed Chemical Master Equation in the Limit of Fast Diffusion [0.03%]
在扩散快速极限下格点上随机化学动力学与完全混合化学 master 方程的等价性
Michail Stamatakis,Dionisios G Vlachos
Michail Stamatakis
Well-mixed and lattice-based descriptions of stochastic chemical kinetics have been extensively used in the literature. Realizations of the corresponding stochastic processes are obtained by the Gillespie stochastic simulation algorithm and...
Stevan Dubljevic,Shien-Fong Lin,Panagiotis Christofides
Stevan Dubljevic
A beat-to-beat variation in the electric wave propagation morphology in myocardium is referred to as cardiac alternans and it has been linked to the onset of life threatening arrhythmias and sudden cardiac death. Experimental studies have d...
P T Foteinou,E Yang,I P Androulakis
P T Foteinou
Biological systems can be modeled as networks of interacting components across multiple scales. A central problem in computational systems biology is to identify those critical components and the rules that define their interactions and giv...
Nikolaos V Sahinidis
Nikolaos V Sahinidis
This paper discusses recent optimization approaches to the protein side-chain prediction problem, protein structural alignment, and molecular structure determination from X-ray diffraction measurements. The machinery employed to solve these...