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PB-AM: An open-source, fully analytical linear poisson-boltzmann solver.

, , , , , и . J. Comput. Chem., 38 (15): 1275-1282 (2017)

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John Head

Josephine Sarah Head

Teresa Edenfeld

Charakterisierung der Funktion der Proteinkinase D2 als Regulator der Chromogranin-A-Sekretion in humanen BON neuroendokrinen Tumorzellen. Uni Ulm, (2010)

Artur Gordon

 

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Matching simulation and experiment (extended abstract): a new simplified model for simulating protein folding., и . RECOMB, стр. 273-282. ACM, (2000)Reliable protein structure refinement using a physical energy function., и . J. Comput. Chem., 32 (4): 709-717 (2011)SPyCi-PDB: A modular command-line interface for back-calculating experimental datatypes of protein structures., , , , , и . J. Open Source Softw., 8 (86): 4861 (июня 2023)Local Disordered Region Sampling (LDRS) for ensemble modeling of proteins with experimentally undetermined or low confidence prediction segments., , , , , , , и . Bioinform., (декабря 2023)A Hierarchical Approach for Parallelization of a Global Optimization Method for Protein Structure Prediction., , , , и . Euro-Par, том 1685 из Lecture Notes in Computer Science, стр. 578-585. Springer, (1999)A new load-balancing strategy for the solution of dynamical large-tree-search problems using a hierarchical approach., и . IBM J. Res. Dev., 48 (2): 153-160 (2004)A Global Optimization Strategy for Predicting -helical Protein Tertiary Structure., , , , , , и . Comput. Chem., 24 (3-4): 489-497 (2000)Protein C-GeM: A Coarse-Grained Electron Model for Fast and Accurate Protein Electrostatics Prediction., , , и . J. Chem. Inf. Model., 61 (9): 4357-4369 (2021)Convergence of stochastic-extended Lagrangian molecular dynamics method for polarizable force field simulation., , , , и . J. Comput. Phys., (2021)Using machine learning to go beyond potential energy surface benchmarking for chemical reactivity., , , , и . Nat. Comput. Sci., 3 (11): 965-974 (2023)