Ján Buša

Investigation of the molecular surface area and volume: Defined and calculated by the molecular face theory

Geometric measures of large biomolecules: Surface, volume, and pockets

The Origin of Consistent Protein Structure Refinement from Structural Averaging

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

Wordom: A user‐friendly program for the analysis of molecular structures, trajectories, and free energy surfaces

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

Gaia: automated quality assessment of protein structure models

PLUMED 2: New feathers for an old bird

Implicit Nonpolar Solvent Models

Advances in Copper Complexes as Anticancer Agents

Recognition of 1,3‐Butadiene by a Porous Coordination Polymer

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

CASTp 3.0: computed atlas of surface topography of proteins

Copper Curcuminoids Containing Anthracene Groups: Fluorescent Molecules with Cytotoxic Activity

DNA binding properties and evaluation of cytotoxic activity of 9,10-bis-N-substituted (aminomethyl)anthracenes

Enveloping triangulation method for detecting internal cavities in proteins and algorithm for computing their surface areas and volumes

CAVE: A package for detection and quantitative analysis of internal cavities in a system of overlapping balls: Application to proteins

ARVO: A Fortran package for computing the solvent accessible surface area and the excluded volume of overlapping spheres via analytic equations