Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen–Hydrogen Correlations
Velez-Vega, Camilo, McKay, Daniel J. J, Kurtzman, Tom, Aravamuthan, Vibhas, Pearlstein, Robert A, Duca, José S
Published in Journal of chemical theory and computation (10.11.2015)
Published in Journal of chemical theory and computation (10.11.2015)
Get full text
Journal Article
Implications of Dynamic Occupancy, Binding Kinetics, and Channel Gating Kinetics for hERG Blocker Safety Assessment and Mitigation
Pearlstein, Robert A, MacCannell, K Andrew, Erdemli, Gül, Yeola, Sarita, Helmlinger, Gabriel, Hu, Qi-Ying, Farid, Ramy, Egan, William, Whitebread, Steven, Springer, Clayton, Beck, Jeremy, Wang, Hao-Ran, Maciejewski, Mateusz, Urban, Laszlo, Duca, José S
Published in Current topics in medicinal chemistry (01.07.2016)
Published in Current topics in medicinal chemistry (01.07.2016)
Get more information
Journal Article
Building New Bridges between In Vitro and In Vivo in Early Drug Discovery: Where Molecular Modeling Meets Systems Biology
Pearlstein, Robert A, McKay, Daniel J J, Hornak, Viktor, Dickson, Callum, Golosov, Andrei, Harrison, Tyler, Velez-Vega, Camilo, Duca, José
Published in Current topics in medicinal chemistry (01.01.2017)
Published in Current topics in medicinal chemistry (01.01.2017)
Get more information
Journal Article
Toward in vivo relevant drug design
Pearlstein, Robert A., Wan, Hongbin, Aravamuthan, Vibhas
Published in Drug discovery today (01.03.2021)
Published in Drug discovery today (01.03.2021)
Get full text
Journal Article
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches
Pearlstein, Robert A, Vaz, Roy J, Kang, Jiesheng, Chen, Xiao-Liang, Preobrazhenskaya, Maria, Shchekotikhin, Andrey E, Korolev, Alexander M, Lysenkova, Ludmila N, Miroshnikova, Olga V, Hendrix, James, Rampe, David
Published in Bioorganic & medicinal chemistry letters (19.05.2003)
Published in Bioorganic & medicinal chemistry letters (19.05.2003)
Get full text
Journal Article
Contributions of water transfer energy to protein-ligand association and dissociation barriers: Watermap analysis of a series of p38[alpha] MAP kinase inhibitors
Pearlstein, Robert A, Sherman, Woody, Abel, Robert
Published in Proteins, structure, function, and bioinformatics (01.09.2013)
Published in Proteins, structure, function, and bioinformatics (01.09.2013)
Get full text
Journal Article
New hypotheses about the structure-function of proprotein convertase subtilisin/kexin type 9: Analysis of the epidermal growth factor-like repeat A docking site using WaterMap
Pearlstein, Robert A., Hu, Qi-Ying, Zhou, Jing, Yowe, David, Levell, Julian, Dale, Bethany, Kaushik, Virendar K., Daniels, Doug, Hanrahan, Susan, Sherman, Woody, Abel, Robert
Published in Proteins, structure, function, and bioinformatics (01.09.2010)
Published in Proteins, structure, function, and bioinformatics (01.09.2010)
Get full text
Journal Article
Structure-kinetic relationship of carbapenem antibacterials permeating through E. coli OmpC porin
Tran, Que-Tien, Pearlstein, Robert A., Williams, Sarah, Reilly, John, Krucker, Thomas, Erdemli, Gül
Published in Proteins, structure, function, and bioinformatics (01.11.2014)
Published in Proteins, structure, function, and bioinformatics (01.11.2014)
Get full text
Journal Article
Uncoupling the Structure–Activity Relationships of β2 Adrenergic Receptor Ligands from Membrane Binding
Dickson, Callum J, Hornak, Viktor, Velez-Vega, Camilo, McKay, Daniel J. J, Reilly, John, Sandham, David A, Shaw, Duncan, Fairhurst, Robin A, Charlton, Steven J, Sykes, David A, Pearlstein, Robert A, Duca, Jose S
Published in Journal of medicinal chemistry (23.06.2016)
Published in Journal of medicinal chemistry (23.06.2016)
Get full text
Journal Article
Structure-kinetic relationship of carbapenem antibacterials permeating through E. coli OmpC porin: Carbapenem Structure-Translocation Kinetics Through OmpC
Tran, Que-Tien, Pearlstein, Robert A., Williams, Sarah, Reilly, John, Krucker, Thomas, Erdemli, Gül
Published in Proteins, structure, function, and bioinformatics (01.11.2014)
Published in Proteins, structure, function, and bioinformatics (01.11.2014)
Get full text
Journal Article
Antibody immunodiversity: a study on the marked specificity difference between two anti-yeast iso-1 cytochrome c monoclonal antibodies whose epitopes are closely related
Rizzo, P, Tinello, C, Pearlstein, R A, Taniuchi, H
Published in Journal of Protein Chemistry (01.07.1999)
Published in Journal of Protein Chemistry (01.07.1999)
Get full text
Journal Article
A procedure for preparing models of receptor sites
Walters, D. Eric, Pearlstein, Robert A, Krimmel, C. Peter
Published in Journal of chemical education (01.10.1986)
Published in Journal of chemical education (01.10.1986)
Get full text
Journal Article
Comparative molecular field analysis of selective A3 adenosine receptor agonists
Siddiqi, S M, Pearlstein, R A, Sanders, L H, Jacobson, K A
Published in Bioorganic & medicinal chemistry (01.10.1995)
Published in Bioorganic & medicinal chemistry (01.10.1995)
Get full text
Journal Article