Molecules (Basel, Switzerland)

Chemphyschem : a European journal of chemical physics and physical chemistry

BMJ open

ChemMedChem

journal of biological inorganic chemistry : jbic : a publication of the society of biological inorganic chemistry

journal of computer-aided molecular design

IEEE transactions on neural networks and learning systems

Journal of chemical information and modeling

structure (london, england : 1993)

ieee transactions on visualization and computer graphics

pain

pericas group - green approaches to catalysis for fine chemicals

[1] ExcelAutomat: a tool for systematic processing of files as applied to quantum chemical calculations.

[2] Effectiveness of problem gambling interventions in a service setting: a protocol for a pragmatic randomised controlled clinical trial.

[3] XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.

[4] Computation of electromagnetic properties of molecular ensembles.

[5] Large-Scale Parallel Implementation of Hartree-Fock Exchange Energy on Real-Space Grids Using 3D-Parallel Fast Fourier Transform.

[6] A study of Pt(II)-phenanthroline complex interactions with double-stranded and G-quadruplex DNA by ESI-MS, circular dichroism, and computational docking.

[7] refining the reaction mechanism of o2 towards its co-substrate in cofactor-free dioxygenases

[8] a computational method for the systematic screening of reaction barriers in enzymes: searching for bacillus circulans xylanase mutants with greater activity towards a synthetic substrate

[9] Synthesis of Computationally Designed 2,5(6)-Benzimidazole Derivatives via Pd-Catalyzed Reactions for Potential DNA Gyrase B Inhibition.

[10] Computational studies of DNA repair: Insights into the function of monofunctional DNA glycosylases in the base excision repair pathway

[11] Investigation of fragmentation behaviours of isoquinoline alkaloids by mass spectrometry combined with computational chemistry