Ivan Tubert‐Brohman

Author

Ivan Tubert‐Brohman

Yale University ORCID

Also Known As

Ivan Tubert-Brohman, Ivan Tubert‐Brohman

Publications

2.3K

Citations

H-Index

Concepts

All Affiliations

Yale University Schrodinger (United States)Columbia University University of Basel

About

Ivan Tubert‐Brohman is an author at Yale University specializing in natural sciences, engineering, and computational chemistry.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Natural Sciences	9	9	1.8K
2	Engineering	7	7	590
3	Medicine	3	3	1.4K
4	Biochemistry	3	3	133
5	Biomolecular Engineering	2	2	1.4K

Ivan Tubert‐Brohman

Publications

2.3K

Citations

H-Index

Page 1

	Year	Citations
Improved Docking of Polypeptides with Glide Ivan Tubert‐Brohman, Woody Sherman, Matt Repasky, Journal of Chemical Information and Modeling Peptide EngineeringMolecular BiologyPeptide ScienceAnalytical UltracentrifugationMolecular Dynamics	2013	1.3K
Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide Matthew P. Repasky, Robert B. Murphy, Jay L. Banks, Journal of Computer-Aided Molecular Design EngineeringData ScienceAerospace EngineeringComputer EngineeringGlide Sp Results	2012	154
Reaction-Based Enumeration, Active Learning, and Free Energy Calculations To Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin-Dependent Kinase 2 Inhibitors Kyle D. Konze, Pieter H. Bos, Markus K. Dahlgren, Journal of Chemical Information and Modeling	2019	135
Construction of model Hamiltonians for adiabatic quantum computation and its application to finding low-energy conformations of lattice protein models Alejandro Perdomo, C. J. S. Truncik, Ivan Tubert‐Brohman, Physical Review A Quantum Lattice SystemEngineeringMany-body Quantum PhysicMolecular BiologyComputational Chemistry	2008	123
WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand–Receptor Docking Robert B. Murphy, Matthew P. Repasky, Jeremy R. Greenwood, Journal of Medicinal Chemistry	2016	93
Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring Gabriela Barreiro, Cristiano R. W. Guimarães, Ivan Tubert‐Brohman, Journal of Chemical Information and Modeling Mm-gb/sa ScoringMedicinal ChemistryMedicineNatural SciencesPharmacology	2007	86
Elucidation of Hydrolysis Mechanisms for Fatty Acid Amide Hydrolase and Its Lys142Ala Variant via QM/MM Simulations Ivan Tubert‐Brohman, Orlando Acevedo, William L. Jorgensen Journal of the American Chemical Society EngineeringMolecular BiologyChemical BiologyEnzymatic ModificationSerine Hydrolase	2006	82
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens Ivan Tubert‐Brohman, Cristiano R. W. Guimarães, Matthew P. Repasky, Journal of Computational Chemistry Materials ScienceInorganic ChemistryTraining SetEngineeringNatural Sciences	2003	79
Extension of the PDDG/PM3 Semiempirical Molecular Orbital Method to Sulfur, Silicon, and Phosphorus Ivan Tubert‐Brohman, Cristiano R. W. Guimarães, William L. Jorgensen Journal of Chemical Theory and Computation Materials ScienceInorganic ChemistryEngineeringNatural SciencesSolid-state Chemistry	2005	74
NO-MNDO: Reintroduction of the Overlap Matrix into MNDO Kurt W. Sattelmeyer, Ivan Tubert‐Brohman, William L. Jorgensen Journal of Chemical Theory and Computation Materials ScienceMndo MethodEngineeringPhysicochemical AnalysisMatrix Factorization	2006	41

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