LINCS
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Related Items (22)
Data-driven molecular modeling with the generalized Langevin equation ⋮ A semi-analytical approach to molecular dynamics ⋮ Molecular modeling, simulation and virtual screening of ribosomal phosphoprotein P1 from \textit{Plasmodium falciparum} ⋮ Molecular modeling and molecular dynamics simulations of GPI 14 in \textit{Leishmania major}: insight into the catalytic site for active site directed drug design ⋮ B-spline tight frame based force matching method ⋮ A sparse Markov chain approximation of LQ-type stochastic control problems. ⋮ P-SHAKE: a quadratically convergent SHAKE in \(O(n^2)\) ⋮ Mechanics of water pore formation in lipid membrane under electric field ⋮ Combining stochastic and deterministic approaches within high efficiency molecular simulations ⋮ Molecular dynamics simulation of HIV fusion inhibitor T-1249: insights on peptide-lipid interac\-tion ⋮ \textit{In silico} analysis of \textit{plasmodium falciparum} CDPK5 protein through molecular modeling, docking and dynamics ⋮ Why does \(\beta \)-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies ⋮ Generalized Fickian approach for phase separating fluid mixtures in smoothed particle hydrodynamics ⋮ A data-driven framework for sparsity-enhanced surrogates with arbitrary mutually dependent randomness ⋮ An effective bead-spring model for polymer simulation ⋮ A generalized non-iterative matrix method for constraint molecular dynamics simulations ⋮ A comparative molecular dynamics-phase-field modeling approach to brittle fracture ⋮ A Meshless Discretization Method for Markov State Models Applied to Explicit Water Peptide Folding Simulations ⋮ WIGGLE: a new constrained molecular dynamics algorithm in Cartesian coordinates ⋮ Molecular dynamics. With deterministic and stochastic numerical methods ⋮ Folding of SAM-II riboswitch explored by replica-exchange molecular dynamics simulation ⋮ Unnamed Item
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