January 01, 2000 article How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? Journal of Computational Chemistry DOI: 10.1002/1096-987x(200009)21:12<1049::aid-jcc3>3.0.co;2-f OpenAlex Authors 0 Author list not loaded yet. Cited by 11 stored of 3,995 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 Binding pose depth modulates photoswitchable ligands’ efficacy at the 5-HT2A receptor 2026 Communications Chemistry article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access 0 citations Binding pose depth modulates photoswitchable ligands’ efficacy at the 5-HT2A receptor 2026 Communications Chemistry article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access 0 citations Integrative dynamic structural biology unveils conformers essential for the oligomerization of a large GTPase 2023 eLife article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access 24 citations Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study 2022 The Journal of Physical Chemistry Letters article Chemistry Mass Spectrometry Techniques and Applications Open access 7 citations Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library 2022 The Journal of Physical Chemistry B article Physics and Astronomy Advanced Chemical Physics Studies Open access 11 citations Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A QM/MM Study 2022 bioRxiv (Cold Spring Harbor Laboratory) preprint Chemistry Mass Spectrometry Techniques and Applications Open access 0 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 Different Force Fields Give Rise to Different Amyloid Aggregation Pathways in Molecular Dynamics Simulations 2020 Journal of Chemical Information and Modeling article Medicine Alzheimer's disease research and treatments 124 citations Different force fields give rise to different amyloid aggregation pathways in molecular dynamics simulations 2020 bioRxiv (Cold Spring Harbor Laboratory) preprint Medicine Alzheimer's disease research and treatments 4 citations Loop engineering of aryl sulfotransferase B for improving catalytic performance in regioselective sulfation 2020 Catalysis Science & Technology article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization 7 citations Directed evolution of VanR biosensor specificity in yeast 2020 Biotechnology Notes article Biochemistry, Genetics and Molecular Biology Microbial Metabolic Engineering and Bioproduction Open access 29 citations 11 results References 0