These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
4. Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel Calculations. Kussmann J; Ochsenfeld C J Chem Theory Comput; 2015 Mar; 11(3):918-22. PubMed ID: 26579745 [TBL] [Abstract][Full Text] [Related]
5. Algorithms of GPU-enabled reactive force field (ReaxFF) molecular dynamics. Zheng M; Li X; Guo L J Mol Graph Model; 2013 Apr; 41():1-11. PubMed ID: 23454611 [TBL] [Abstract][Full Text] [Related]
6. Haptic-driven, interactive drug design: implementing a GPU-based approach to evaluate the induced fit effect. Anthopoulos A; Pasqualetto G; Grimstead I; Brancale A Faraday Discuss; 2014; 169():323-42. PubMed ID: 25340878 [TBL] [Abstract][Full Text] [Related]
7. Accelerating reaction-diffusion simulations with general-purpose graphics processing units. Vigelius M; Lane A; Meyer B Bioinformatics; 2011 Jan; 27(2):288-90. PubMed ID: 21062761 [TBL] [Abstract][Full Text] [Related]
8. Performance evaluation of image processing algorithms on the GPU. Castaño-Díez D; Moser D; Schoenegger A; Pruggnaller S; Frangakis AS J Struct Biol; 2008 Oct; 164(1):153-60. PubMed ID: 18692140 [TBL] [Abstract][Full Text] [Related]
9. Fast calculation of DNMR spectra on CUDA-enabled graphics card. Szalay Z; Rohonczy J J Comput Chem; 2011 May; 32(7):1262-70. PubMed ID: 21425283 [TBL] [Abstract][Full Text] [Related]
10. High performance hybrid functional Petri net simulations of biological pathway models on CUDA. Chalkidis G; Nagasaki M; Miyano S IEEE/ACM Trans Comput Biol Bioinform; 2011; 8(6):1545-56. PubMed ID: 21116036 [TBL] [Abstract][Full Text] [Related]
11. Advanced Potential Energy Surfaces for Molecular Simulation. Albaugh A; Boateng HA; Bradshaw RT; Demerdash ON; Dziedzic J; Mao Y; Margul DT; Swails J; Zeng Q; Case DA; Eastman P; Wang LP; Essex JW; Head-Gordon M; Pande VS; Ponder JW; Shao Y; Skylaris CK; Todorov IT; Tuckerman ME; Head-Gordon T J Phys Chem B; 2016 Sep; 120(37):9811-32. PubMed ID: 27513316 [TBL] [Abstract][Full Text] [Related]
12. Electrostatics of proteins in dielectric solvent continua. I. Newton's third law marries qE forces. Stork M; Tavan P J Chem Phys; 2007 Apr; 126(16):165105. PubMed ID: 17477637 [TBL] [Abstract][Full Text] [Related]
13. Efficient implementation of constant pH molecular dynamics on modern graphics processors. Arthur EJ; Brooks CL J Comput Chem; 2016 Sep; 37(24):2171-80. PubMed ID: 27405884 [TBL] [Abstract][Full Text] [Related]
14. Computation of induced dipoles in molecular mechanics simulations using graphics processors. Pratas F; Sousa L; Dieterich JM; Mata RA J Chem Inf Model; 2012 May; 52(5):1159-66. PubMed ID: 22536925 [TBL] [Abstract][Full Text] [Related]
15. GPU-based Monte Carlo simulation for light propagation in complex heterogeneous tissues. Ren N; Liang J; Qu X; Li J; Lu B; Tian J Opt Express; 2010 Mar; 18(7):6811-23. PubMed ID: 20389700 [TBL] [Abstract][Full Text] [Related]
16. Multi-dimensional characterization of electrostatic surface potential computation on graphics processors. Daga M; Feng WC BMC Bioinformatics; 2012 Apr; 13 Suppl 5(Suppl 5):S4. PubMed ID: 22537008 [TBL] [Abstract][Full Text] [Related]
17. An evaluation of multiple feed-forward networks on GPUs. Lopes N; Ribeiro B Int J Neural Syst; 2011 Feb; 21(1):31-47. PubMed ID: 21243729 [TBL] [Abstract][Full Text] [Related]
18. Fast evaluation of polarizable forces. Wang W; Skeel RD J Chem Phys; 2005 Oct; 123(16):164107. PubMed ID: 16268681 [TBL] [Abstract][Full Text] [Related]
19. Parallelized computation for computer simulation of electrocardiograms using personal computers with multi-core CPU and general-purpose GPU. Shen W; Wei D; Xu W; Zhu X; Yuan S Comput Methods Programs Biomed; 2010 Oct; 100(1):87-96. PubMed ID: 20674066 [TBL] [Abstract][Full Text] [Related]
20. Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units. Manathunga M; Aktulga HM; Götz AW; Merz KM J Chem Inf Model; 2023 Feb; 63(3):711-717. PubMed ID: 36720086 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]