On the pseudoharmonic oscillator as a model for the electronic potential-energy function of a diatomic molecule Francisco M. Fernández Original Paper 11 November 2023 Pages: 313 - 316
Identification of potential oral cancer drugs as Bcl-2 inhibitors from known anti-neoplastic agents through docking studies Chandan RaychaudhuryShreyaa SrinivasanDebnath Pal Original Paper 13 November 2023 Pages: 317 - 329
High-order symmetric and energy-preserving collocation integrators for the second-order Hamiltonian system Changying LiuYumeng TangYonglei Fang Original Paper 13 November 2023 Pages: 330 - 355
Unraveling the complexity of Exendin-4 folding through two distinct pathways Ziyao GaoJianfeng HeKingsley Leung Original Paper 14 November 2023 Pages: 356 - 366
Augmented ant colony algorithm for virtual drug discovery Luca DonatiKonstantin FackeldeyMarcus Weber Original Paper Open access 14 November 2023 Pages: 367 - 385
On the connectivity of the disguised toric locus of a reaction network Gheorghe CraciunAbhishek DeshpandeJiaxin Jin Original Paper 16 November 2023 Pages: 386 - 405
Might molecular symmetry operations exist “partially”? Giorgio Celebre Original Paper 29 November 2023 Pages: 406 - 424
Wavelet-based mathematical analysis of immobilized enzymes in porous catalysts under nonlinear Michaelis–Menten kinetics R. Rajaraman Original Paper 29 November 2023 Pages: 425 - 460
Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively? Jorge I. Martínez-Araya Original Paper 30 November 2023 Pages: 461 - 475
Weakly reversible single linkage class realizations of polynomial dynamical systems: an algorithmic perspective Gheorghe CraciunAbhishek DeshpandeJiaxin Jin Research 30 November 2023 Pages: 476 - 501
General relationships between the kinetic characteristics of bulk and geminate recombination of radicals in solutions Alexander B. DoktorovNikita N. Lukzen Original Paper 30 November 2023 Pages: 502 - 521
Comparative study of elastic properties of some inorganic and organic molecular crystals from EOS Shivam SrivastavaAnjani K. PandeyChandra K. Dixit Original Paper 04 December 2023 Pages: 522 - 533