Art D Bochevarov (Art Bochevarov)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 8

Top Topics

Density Functional Theory

Venous Thromboembolism

Virtual Reality

Top Venues

Journal of chemical information and modeling

Journal of chemical theory and computation

Journal of medicinal chemistry

Journal of computer-aided molecular design

This page only lists publications with an associated author ORCID identifier.

Publications

Daniel S Levine, Leif D Jacobson, Art D Bochevarov
Large Computational Survey of Intrinsic Reactivity of Aromatic Carbon Atoms with Respect to a Model Aldehyde Oxidase. Journal of chemical theory and computation (2023)
Mark A Watson, Ryne C Johnston, Art D Bochevarov
Comment on the Definition and Labeling of p K 50 . Journal of chemical information and modeling (2023)
Haifeng Tang, Kristian Jensen, Evelyne Houang, Fiona M McRobb, Sathesh Bhat, Mats Svensson, Art D Bochevarov, Tyler Day, Markus K Dahlgren, Jeffery A Bell, Leah Frye, Robert J Skene, James H Lewis, James D Osborne, Jason P Tierney, James A Gordon, Maria A Palomero, Caroline Gallati, Robert S L Chapman, Daniel R Jones, Kim L Hirst, Mark Sephton, Alka Chauhan, Andrew Sharpe, Piero Tardia, Elsa A Dechaux, Andrea Taylor, Ross D Waddell, Andrea Valentine, Holden B Janssens, Omar Aziz, Dawn E Bloomfield, Sandeep Ladha, Ian J Fraser, John M Ellard
Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform. Journal of medicinal chemistry 65 (9) (2022)
Guangqi Li, Benjamin Rudshteyn, James Shee, John L Weber, Dilek Coskun, Art D Bochevarov, Richard A Friesner
Accurate Quantum Chemical Calculation of Ionization Potentials: Validation of the DFT-LOC Approach via a Large Data Set Obtained from Experiments and Benchmark Quantum Chemical Calculations. Journal of chemical theory and computation 16 (4) (2020)
Daniel S Levine, Mark A Watson, Leif D Jacobson, Claire E Dickerson, Haoyu S Yu, Art D Bochevarov
Pattern-free generation and quantum mechanical scoring of ring-chain tautomers. Journal of computer-aided molecular design 35 (4) (2020)
Mark A Watson, Haoyu S Yu, Art D Bochevarov
Generation of Tautomers Using Micro-p Ka's. Journal of chemical information and modeling 59 (6) (2019)
Haoyu S Yu, Mark A Watson, Art D Bochevarov
Weighted Averaging Scheme and Local Atomic Descriptor for pKa Prediction Based on Density Functional Theory. Journal of chemical information and modeling 58 (2) (2018)
Leif D Jacobson, Art D Bochevarov, Mark A Watson, Thomas F Hughes, David Rinaldo, Stephan Ehrlich, Thomas B Steinbrecher, S Vaitheeswaran, Dean M Philipp, Mathew D Halls, Richard A Friesner
Automated Transition State Search and Its Application to Diverse Types of Organic Reactions. Journal of chemical theory and computation 13 (11) (2017)