Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities von Polêto, Marcelo D, Rusu, Victor H, Grisci, Bruno I, Dorn, Marcio, Lins, Roberto D, Verli, Hugo

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A method to apply bond‐angle constraints in molecular dynamics simulations von Pechlaner, Maria, Dorta, Andreas P., Lin, Zhixiong, Rusu, Victor H., Gunsteren, Wilfred F.

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PITOMBA: Parameter Interface for Oligosaccharide Molecules Based on Atoms von Rusu, Victor H, Baron, Riccardo, Lins, Roberto D

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Deriving Structural Information from Experimentally Measured Data on Biomolecules von van Gunsteren, Wilfred F., Allison, Jane R., Daura, Xavier, Dolenc, Jožica, Hansen, Niels, Mark, Alan E., Oostenbrink, Chris, Rusu, Victor H., Smith, Lorna J.

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Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations von Rusu, Victor H, Santos, Denys E. S, Poleto, Marcelo D, Galheigo, Marcelo M, Gomes, Antônio T. A, Verli, Hugo, Soares, Thereza A, Lins, Roberto D

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The Effect of Temperature, Cations, and Number of Acyl Chains on the Lamellar to Non-Lamellar Transition in Lipid-A Membranes: A Microscopic View von Pontes, Frederico J. S, Rusu, Victor H, Soares, Thereza A, Lins, Roberto D

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Investigation of the structural preference and flexibility of the loop residues in amyloid fibrils of the HET-s prion von Dolenc, Jo ica, Meier, Beat H, Rusu, Victor H, van Gunsteren, Wilfred F

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Alpha-hemolysin nanopore allows discrimination of the microcystins variants von Júnior, Janilson J. S, Soares, Thereza A, Pol-Fachin, Laércio, Machado, Dijanah C, Rusu, Victor H, Aguiar, Juliana P, Rodrigues, Cláudio G

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Assessing protein conformational sampling and structural stability via de novo design and molecular dynamics simulations von Cunha, Keila C., Rusu, Victor H., Viana, Isabelle F. T., Marques, Ernesto T. A., Dhalia, Rafael, Lins, Roberto D.

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MDWiZ: A platform for the automated translation of molecular dynamics simulations von Rusu, Victor H., Horta, Vitor A.C., Horta, Bruno A.C., Lins, Roberto D., Baron, Riccardo

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GROMOS 53A6GLYC, an Improved GROMOS Force Field for Hexopyranose-Based Carbohydrates von Pol-Fachin, Laercio, Rusu, Victor H, Verli, Hugo, Lins, Roberto D

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GROMOS 53A6 GLYC , an Improved GROMOS Force Field for Hexopyranose-Based Carbohydrates von Pol-Fachin, Laercio, Rusu, Victor H., Verli, Hugo, Lins, Roberto D.

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Bestimmung von Strukturinformation aus experimentellen Messdaten für Biomoleküle von van Gunsteren, Wilfred F., Allison, Jane R., Daura, Xavier, Dolenc, Jožica, Hansen, Niels, Mark, Alan E., Oostenbrink, Chris, Rusu, Victor H., Smith, Lorna J.

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Hydrogen bonds between phthalimide and hydrogen fluoride: A theoretical study von de Lima, NatháLia B., Rusu, Victor H., Ramos, Mozart N.

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Bestimmung von Strukturinformation aus experimentellen Messdaten für Biomoleküle von van Gunsteren, Wilfred F., Allison, Jane R., Daura, Xavier, Dolenc, Jožica, Hansen, Niels, Mark, Alan E., Oostenbrink, Chris, Rusu, Victor H., Smith, Lorna J.

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A theoretical study of the hydrogen bonding between the vic-, cis- and trans-C2H2F2 isomers and hydrogen fluoride von Rusu, Victor H., da Silva, João Bosco P., Ramos, Mozart N.

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Hydrogen bonds between hydrogen fluoride and aromatic azines: An ab initio study von Rusu, Victor H., Ramos, Mozart N., Da Silva, João Bosco P.

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Factorial design analysis of the effects of wave function modifications on calculated HC and CC stretching frequencies in H2CCHX and HCCX von Ramos, Mozart N., Lopes, Kelson C., Rusu, Victor H., Araújo, Regiane C.M.U.

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A theoretical study of the hydrogen bonding between the vic-, cis- and trans-C 2H 2F 2 isomers and hydrogen fluoride von Rusu, Victor H., da Silva, João Bosco P., Ramos, Mozart N.

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Factorial design analysis of the effects of wave function modifications on calculated HC and CC stretching frequencies in H 2C CHX and HC CX von Ramos, Mozart N., Lopes, Kelson C., Rusu, Victor H., Araújo, Regiane C.M.U.

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