| Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023 | 5701 | 2023 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 584 | 2023 |
| An effective MM/GBSA protocol for absolute binding free energy calculations: A case study on SARS-CoV-2 spike protein and the human ACE2 receptor N Forouzesh, N Mishra Molecules 26 (8), 2383, 2021 | 93 | 2021 |
| Grid-based surface generalized Born model for calculation of electrostatic binding free energies N Forouzesh, S Izadi, AV Onufriev Journal of chemical information and modeling 57 (10), 2505-2513, 2017 | 36 | 2017 |
| Multidimensional global optimization and robustness analysis in the context of protein–ligand binding N Forouzesh, A Mukhopadhyay, LT Watson, AV Onufriev Journal of Chemical Theory and Computation 16 (7), 4669-4684, 2020 | 15 | 2020 |
| and KM Merz Jr.* AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWDC Eiro, ... J. Chem. Inf. Model 63, 6183-6191, 2023 | 13 | 2023 |
| A Physics-Guided Neural Network for Predicting Protein–Ligand Binding Free Energy: From Host–Guest Systems to the PDBbind Database S Cain, A Risheh, N Forouzesh Biomolecules 12 (7), 919, 2022 | 11 | 2022 |
| MMGB/SA Consensus Estimate of the Binding Free Energy Between the Novel Coronavirus Spike Protein to the Human ACE2 Receptor. N Forouzesh, AV Onufriev BioRxiv, 2020 | 10 | 2020 |
| University of California, San Francisc., 2023 DA Case, KB HMA, IY Ben-Shalom, JT Berryman, SR Brozell, DS Cerutti, ... There is no corresponding record for this reference, 2023 | 8 | 2023 |
| Binding free energy of the novel coronavirus spike protein and the human ace2 receptor: An mmgb/sa computational study N Forouzesh Proceedings of the 11th ACM International Conference on Bioinformatics …, 2020 | 6 | 2020 |
| Robustness of multidimensional optimization outcomes: a general approach and a case study N Forouzesh, LT Watson, AV Onufriev 2020 Spring Simulation Conference (SpringSim), 1-12, 2020 | 5 | 2020 |
| Structure-based analysis of protein binding pockets using von Neumann entropy N Forouzesh, MR Kazemi, A Mohades Bioinformatics Research and Applications: 10th International Symposium …, 2014 | 5 | 2014 |
| Calculation of protein-ligand binding free energy using a physics-guided neural network S Cain, A Risheh, N Forouzesh 2021 IEEE International Conference on Bioinformatics and Biomedicine (BIBM …, 2021 | 4 | 2021 |
| Protein-ligand binding with applications in molecular docking N Mishra, N Forouzesh Algorithms and Methods in Structural Bioinformatics, 1-16, 2012 | 4 | 2012 |
| Analysis of macular thickness deviation maps for diagnosis of glaucoma B Zhou, F Mohammadi, JS Lim, N Forouzesh, H Ghasemzadeh, N Amini Advances in Visual Computing: 16th International Symposium, ISVC 2021 …, 2021 | 3 | 2021 |
| Molecular Docking Improved With Human Spatial Perception Using Virtual Reality S Mishra, M Corro-Flores, D Krum, N Forouzesh IEEE Transactions on Visualization and Computer Graphics, 2024 | 2 | 2024 |
| Improving the Accuracy of Physics-Based Hydration-Free Energy Predictions by Machine Learning the Remaining Error Relative to the Experiment L Bass, LH Elder, DE Folescu, N Forouzesh, IS Tolokh, A Karpatne, ... Journal of chemical theory and computation 20 (1), 396-410, 2023 | 2 | 2023 |
| Calculation of protein-ligand binding entropies using a rule-based molecular fingerprint A Risheh, A Rebel, PS Nerenberg, N Forouzesh Biophysical Journal, 2024 | 1 | 2024 |
| Physics-Guided Deep Generative Model For New Ligand Discovery D Sagar, A Risheh, N Sheikh, N Forouzesh Proceedings of the 14th ACM International Conference on Bioinformatics …, 2023 | 1 | 2023 |
| Calculating the Binding Entropy of Host-Guest Systems with Physics-Guided Neural Networks A Rebel, A Risheh, N Massoudian, N Forouzesh 2022 IEEE International Conference on Bioinformatics and Biomedicine (BIBM …, 2022 | 1 | 2022 |
Alexey OnufrievVirginia TechVerified email at vt.edu
