Dmitriy S. Chekmarev
International Flavors & Fragrances (United States)(US)
Publications by Year
Research Areas
nanoparticles nucleation surface interactions, Computational Drug Discovery Methods, Advanced Chemical Physics Studies, Thermodynamic and Structural Properties of Metals and Alloys, Synthesis and Reactivity of Heterocycles
Most-Cited Works
- → Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information(2011)660 cited
- → New Predictive Models for Blood–Brain Barrier Permeability of Drug-like Molecules(2008)103 cited
- → Long-Time Conformational Transitions of Alanine Dipeptide in Aqueous Solution: Continuous and Discrete-State Kinetic Models(2004)88 cited
- → Shape Signatures: New Descriptors for Predicting Cardiotoxicity In Silico(2008)66 cited
- → Prediction of Protein Loop Conformations Using the AGBNP Implicit Solvent Model and Torsion Angle Sampling(2008)63 cited
- → Hybrid Scoring and Classification Approaches to Predict Human Pregnane X Receptor Activators(2008)57 cited
- → Structure of liquid Ga and the liquid-vapor interface of Ga(1997)54 cited
- → Structure of the liquid–vapor interface of a metal from a simple model potential: Corresponding states of the alkali metals(1998)47 cited
- → One-Pot Four-Component Reaction for the Generation of Pyrazoles and Pyrimidines(2007)45 cited
- → Computer simulation study of the structure of the liquid-vapor interface of mercury at 20, 100, and 200 °C(1999)37 cited