B
Bruce Tidor
Researcher at Massachusetts Institute of Technology
Publications - 180
Citations - 19350
Bruce Tidor is an academic researcher from Massachusetts Institute of Technology. The author has contributed to research in topics: Protease & Binding site. The author has an hindex of 60, co-authored 179 publications receiving 17680 citations. Previous affiliations of Bruce Tidor include National University of Singapore & Harvard University.
Papers
More filters
Journal ArticleDOI
Molecular-modeling calculations of enzymatic enantioselectivity taking hydration into account.
TL;DR: A new molecular-modeling methodology has been applied to explain enzymatic enantioselectivity in water, which should provide a more realistic view of the solvent-enzyme and solvent-substrate interactions than the heretofore used approaches involving the vacuum molecular mechanics only.
Journal Article
Additivity in the Analysis and Design of HIV Protease Inhibitors
Robert N. Jorissen,G. S. Kiran Kumar Reddy,Akbar Ali,Michael D. Altman,Sripriya Chellappan,Saima Ghafoor Anjum,Bruce Tidor,Celia A. Schiffer,Tariq M. Rana,Michael K. Gilson +9 more
TL;DR: In this article, the applicability of additive treatment of substituent effects to the analysis and design of HIV protease inhibitors was explored and compared with standard molecular descriptor-based QSAR; the latter was not found to provide superior predictions.
Journal ArticleDOI
Rotamer Optimization for Protein Design through MAP Estimation and Problem-Size Reduction
TL;DR: This work presents an exact solution method, named BroMAP (branch‐and‐bound rotamer optimization using MAP estimation), for large protein design problems where DEE/A* struggles and can also substitute for DEE or A* in general GMEC search.
Journal ArticleDOI
Osmotic Pressure of Aqueous Chondroitin Sulfate Solution: A Molecular Modeling Investigation
TL;DR: In this paper, the osmotic pressure of chondroitin sulfate (CS) solution in contact with an aqueous 1:1 salt reservoir of fixed ionic strength was studied using a recently developed coarse-grained molecular model.
Osmotic Pressure of Aqueous Chondroitin Sulfate Solution: A Molecular Modeling Investigation
TL;DR: The intrinsic backbone stiffness characteristic of polysaccharides such as CS is demonstrated to contribute significantly to its osmotic pressure behavior, which is similar to that of a solution of charged rods for the 20-disaccharide chains considered.