List of works - Fredy Sussman

Computer-aided structure-based design of multitarget leads for Alzheimer's disease.

scientific article

Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains

scientific article

Effect of the Protonation State of the Titratable Residues on the Inhibitor Affinity to BACE-1

article published in 2010

Environmental Effects Determine the Structure of Potential β-Amino Acid Based Foldamers

scientific article published on 29 June 2018

Environmental effects on H-bond potentials: A SCRF MO CNDO/2 study of some model systems

scientific article published on March 7, 1978

Experimental and ‘in silico’ analysis of the effect of pH on HIV-1 protease inhibitor affinity: Implications for the charge state of the protein ionogenic groups

scientific article published in 2012

Free energy of charges in solvated proteins: microscopic calculations using a reversible charging process

scientific article published on 01 December 1986

Inhibitor docking screened by the modified SAFE_p scoring function: application to cyclic urea HIV-1 PR inhibitors.

scientific article published in October 2007

Ligand recognition by RAR and RXR receptors: binding and selectivity

scientific article

On a possible neutral charge state for the catalytic dyad in β-secretase when bound to hydroxyethylene transition state analogue inhibitors

scientific article published on 31 March 2011

On the Active Site Protonation State in Aspartic Proteases: Implications for Drug Design ⬇️

scientific article published on January 1, 2013

Predicting the cell differentiation activity of 1 alpha,25-dihydroxyvitamin D3 side chain analogues from docking simulations.

scientific article published in March 2004

Prediction and analysis of binding affinities for chemically diverse HIV-1 PR inhibitors by the modified SAFE_p approach.

scientific article

Searching the conformational space of cyclic beta-amino acid peptides

scientific article published on 01 July 2009

Solvent accessibility as a predictive tool for the free energy of inhibitor binding to the HIV-1 protease

scientific article published on July 1995

Synthesis and biological evaluation of 1α,25-dihydroxyvitamin D(3) analogues hydroxymethylated at C-26.

scientific article published on 10 May 2011

The search for drug leads targeted to the beta-secretase: an example of the roles of computer assisted approaches in drug discovery.

scientific article

List of works by Fredy Sussman

Computer-aided structure-based design of multitarget leads for Alzheimer's disease.

Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains

Effect of the Protonation State of the Titratable Residues on the Inhibitor Affinity to BACE-1

Environmental Effects Determine the Structure of Potential β-Amino Acid Based Foldamers

Environmental effects on H-bond potentials: A SCRF MO CNDO/2 study of some model systems

Experimental and ‘in silico’ analysis of the effect of pH on HIV-1 protease inhibitor affinity: Implications for the charge state of the protein ionogenic groups

Free energy of charges in solvated proteins: microscopic calculations using a reversible charging process

Inhibitor docking screened by the modified SAFE_p scoring function: application to cyclic urea HIV-1 PR inhibitors.

Ligand recognition by RAR and RXR receptors: binding and selectivity

On a possible neutral charge state for the catalytic dyad in β-secretase when bound to hydroxyethylene transition state analogue inhibitors

On the Active Site Protonation State in Aspartic Proteases: Implications for Drug Design ⬇️

Predicting the cell differentiation activity of 1 alpha,25-dihydroxyvitamin D3 side chain analogues from docking simulations.

Prediction and analysis of binding affinities for chemically diverse HIV-1 PR inhibitors by the modified SAFE_p approach.

Searching the conformational space of cyclic beta-amino acid peptides

Solvent accessibility as a predictive tool for the free energy of inhibitor binding to the HIV-1 protease

Synthesis and biological evaluation of 1α,25-dihydroxyvitamin D(3) analogues hydroxymethylated at C-26.

The search for drug leads targeted to the beta-secretase: an example of the roles of computer assisted approaches in drug discovery.