October 01, 1993 article A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model The Journal of Physical Chemistry DOI: 10.1021/j100142a004 OpenAlex Authors 0 Author list not loaded yet. Cited by 27 stored of 8,322 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCE ngine ): Automation and interoperability among computational chemistry programs 2021 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 52 citations The two redox states of the human NEET proteins’ [2Fe–2S] clusters 2021 JBIC Journal of Biological Inorganic Chemistry article Energy Metalloenzymes and iron-sulfur proteins Open access 14 citations Ligand Affinities within the Open-Boundary Molecular Mechanics/Coarse-Grained Framework (I): Alchemical Transformations within the Hamiltonian Adaptive Resolution Scheme 2021 The Journal of Physical Chemistry B article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics 3 citations Aqueous ionic liquids redistribute local enzyme stability via long-range perturbation pathways 2021 Computational and Structural Biotechnology Journal article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access 21 citations Cumulative Submillisecond All-Atom Simulations of the Temperature-Induced Coil-to-Globule Transition of Poly( N -vinylcaprolactam) in Aqueous Solution 2020 Macromolecules article Chemistry Advanced Physical and Chemical Molecular Interactions 8 citations Ligand Pose Predictions for Human G Protein-Coupled Receptors: Insights from the Amber-Based Hybrid Molecular Mechanics/Coarse-Grained Approach 2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods 16 citations Modeling the allosteric modulation on a G-Protein Coupled Receptor: the case of M2 muscarinic Acetylcholine Receptor in complex with LY211960 2020 Scientific Reports article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access 9 citations 21–27 of 27 ← Previous Page 2 / 2 References 0