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List of works by Vladimír Sládek

Ab initio X(1)0(+) ground state potential curves of Pb···RG dimers (RG = He, Ne, Ar) including spin-orbit effects. Simulation of diffusion coefficients.

scientific article published in September 2014

Ab initio calculation of structure and transport properties of He…X (X = Zn, Cd, Hg) van der Waals complexes.

scientific article published on 6 January 2012

Ab initio modelling of the anomeric and exo anomeric effects in 2-methoxytetrahydropyran and 2-methoxythiane corrected for intramolecular BSSE.

scientific article published in July 2015

Ab initio relativistic potential energy surfaces of benzene-Xe complex with application to intermolecular vibrations

scientific article published on 01 March 2020

Benchmark CCSD-SAPT study of rare gas dimers with comparison to MP-SAPT and DFT-SAPT.

scientific article

Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations

scientific article published on 20 December 2018

First-Principles Interaction Analysis Assessment of the Manganese Cation in the Catalytic Activity of Glycosyltransferases.

scientific article published on 15 June 2017

In silico analysis of interaction pattern switching in ligandreceptor binding in Golgi α-mannosidase II induced by the protonated states of inhibitors

scientific article published on 4 May 2017

Molecular association model of PPARα and its new specific and efficient ligand, pemafibrate: Structural basis for SPPARMα.

scientific article published on 19 March 2018

N-Benzyl Substitution of Polyhydroxypyrrolidines: The Way to Selective Inhibitors of Golgi α-Mannosidase II.

scientific article published on 11 January 2018

Nontargeted Parallel Cascade Selection Molecular Dynamics Based on a Nonredundant Selection Rule for Initial Structures Enhances Conformational Sampling of Proteins

scientific article published on 21 November 2019

Nontargeted Parallel Cascade Selection Molecular Dynamics Using Time-Localized Prediction of Conformational Transitions in Protein Dynamics

scientific article published on 27 August 2019

Protein Dynamics and the Folding Degree

scientific article published on 24 February 2020

Protein Residue Networks from Energetic and Geometric Data: Are They Identical?

scientific article published on 30 November 2018

pyProGA-A PyMOL plugin for protein residue network analysis

scientific article published on 30 July 2021

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