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Accelerating molecular docking -- the process of predicting how molecules bind to protein targets -- could boost small-molecule drug discovery and revolutionize medicine. Unfortunately, current molecular docking tools are too slow to screen…

We present a highly efficient molecular dynamics scheme for calculating the concentration depth profile of dopants in ion irradiated materials. The scheme incorporates several methods for reducing the computational overhead, plus a rare…

Computational Physics · Physics 2009-10-31 Keith M. Beardmore , Niels Gronbech-Jensen

Non-coplanar Intensity-Modulated Radiation Therapy (IMRT) goes a step further by orienting the gantry carrying the radiation beam and the patient couch in a non-coplanar manner to accurately target the cancer region and better avoid…

Medical Physics · Physics 2023-05-16 Fang Guo , Franklin Okoli , Ulrike Schick , Dimitris Visvikis , Antoine Valeri , Julien Bert

Objective: Real-time adaptive proton range verification systems based on produced neutrons require accurate information on their non-isotropic momentum distributions within short times, for which Monte Carlo (MC) methods are too…

We introduce an interpretable deep learning approach for direction of arrival (DOA) estimation with a single snapshot. Classical subspace-based methods like MUSIC and ESPRIT use spatial smoothing on uniform linear arrays for single snapshot…

Signal Processing · Electrical Eng. & Systems 2023-12-01 Ruxin Zheng , Shunqiao Sun , Hongshan Liu , Honglei Chen , Jian Li

Single minibeams of protons, $^{4}$He, $^{12}$C and $^{16}$O in water were modeled with Geant4, and their dose distributions were parameterized with double-Gauss-Rutherford (DGR) functions. Dose distributions from arrays of 16 parallel…

Medical Physics · Physics 2024-12-30 Savva Savenkov , Alexandr Svetlichnyi , Igor Pshenichnov

Background: Intensity-modulated proton therapy (IMPT) using pencil beam technique scans tumor in a layer by layer, then spot by spot manner. It can provide highly conformal dose to tumor targets and spare nearby organs-at-risk (OAR). Fast…

Medical Physics · Physics 2024-11-28 Aoxiang Wang , Ya-Nan Zhu , Jufri Setianegara , Yuting Lin , Peng Xiao , Qingguo Xie , Hao Gao

The paper discusses some 3D simulations to compute the ionizing radiation dose during laser-plasma experiments leading to the generation of accelerated protons and electrons. Also, we suggest a new method to increase the measurement…

Instrumentation and Detectors · Physics 2019-10-02 M. Ganciu , A. Chirosca , A. Groza , E. Stancu , O. Stoican , D. B. Dreghici , B. Butoi , C. Ticos , B. Mihalcea , B. Cramariuc

When treating moving tumors, the precise delivery of proton therapy by pencil beam scanning (PBS) is challenged by the interplay effect. Although several 4D-optimization methods have been proposed, what is the most beneficial motion…

Medical Physics · Physics 2025-01-29 Ivar Bengtsson , Anders Forsgren , Albin Fredriksson

Due to the large combinatorial problem, current beam orientation optimization algorithms for radiotherapy, such as column generation (CG), are typically heuristic or greedy in nature, leading to suboptimal solutions. We propose a…

Medical Physics · Physics 2020-04-15 Azar Sadeghnejad-Barkousaraie , Gyanendra Bohara , Steve Jiang , Dan Nguyen

We propose the BayesDose-Framework, a Bayesian approach for fast and accurate dose prediction in proton therapy. Our framework is based on a previously published deterministic LSTM model and is trained and evaluated on simulated beamlet…

Medical Physics · Physics 2023-07-04 Luke Voss , Ahmad Neishabouri , Tim Ortkamp , Andrea Mairani , Niklas Wahl

Radiotherapy treatment planning remains a time-intensive iterative process requiring expert intervention in commercial treatment planning system (TPS). While machine learning approaches have demonstrated promise, most remain depedent on…

Particle filter-based 2D-SLAM is widely used in indoor localization tasks due to its efficiency. However, indoor environments such as long straight corridors can cause severe degeneracy problems in SLAM. In this paper, we use Proximal…

The Fast Dose Calculator (FDC), a track repeating algorithm Monte Carlo method was initially developed for proton therapy. The validation for proton therapy has been demonstrated in a previous work. This method can be expanded to ion…

Medical Physics · Physics 2018-09-18 Qianxia Wang , Antony Adair , Yu Deng , Hongliang Chen , M Moyers , James Lin , Pablo Yepes

Over the last ten years, Patient-Derived Organoids (PDOs) emerged as the most reliable technology to generate ex-vivo tumor avatars. PDOs retain the main characteristics of their original tumor, making them a system of choice for…

Deep learning (DL) based direction of arrival (DOA) estimation is an active research topic and currently represents the state-of-the-art. Usually, DL-based DOA estimators are trained with recorded data or computationally expensive generated…

Audio and Speech Processing · Electrical Eng. & Systems 2022-02-17 Fabian Hübner , Wolfgang Mack , Emanuël A. P. Habets

As a necessary process in drug development, finding a drug compound that can selectively bind to a specific protein is highly challenging and costly. Drug-target affinity (DTA), which represents the strength of drug-target interaction…

Biomolecules · Quantitative Biology 2023-12-18 Zhiqin Zhu , Zheng Yao , Guanqiu Qi , Neal Mazur , Baisen Cong

We present a highly efficient molecular dynamics scheme for calculating the concentration profile of dopants implanted in group-IV alloy, and III-V zinc blende structure materials. Our program incorporates methods for reducing computational…

Materials Science · Physics 2009-10-31 Keith M. Beardmore , Niels Gronbech-Jensen

This work addresses computing techniques for dose calculations in treatment planning with proton and ion beams, based on an efficient kernel-convolution method referred to as grid-dose spreading (GDS) and accurate heterogeneity-correction…

Medical Physics · Physics 2012-01-11 Nobuyuki Kanematsu

Objective. Proton beams enable localized dose delivery. Accurate range estimation is essential, but planning still relies on X-ray CT, which introduces uncertainty in stopping power and range. Proton CT measures water equivalent thickness…

Medical Physics · Physics 2025-09-15 Atiq Ur Rahman , Chun-Chieh Wang , Shu-Wei Wu , Tsi-Chian Chao , I-Chun Cho
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